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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:52:14 UTC
Update Date2022-03-07 02:53:29 UTC
HMDB IDHMDB0032845
Secondary Accession Numbers
  • HMDB32845
Metabolite Identification
Common Name2-[Methyl(3-phenylpropanoyl)amino]benzoic acid
Description2-[Methyl(3-phenylpropanoyl)amino]benzoic acid belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. Based on a literature review very few articles have been published on 2-[Methyl(3-phenylpropanoyl)amino]benzoic acid.
Structure
Thumb
Synonyms
ValueSource
2-[Methyl(3-phenylpropanoyl)amino]benzoateGenerator
2-(Methyl-(3-phenylpropanoyl)amino)benzoic acidHMDB
2-(N-Methyl-3-phenylpropanamido)benzoateGenerator
Methyl N-(3-phenylpropanoyl)anthranilic acidGenerator
Chemical FormulaC17H17NO3
Average Molecular Weight283.3218
Monoisotopic Molecular Weight283.120843415
IUPAC Name2-(N-methyl-3-phenylpropanamido)benzoic acid
Traditional Name2-(N-methyl-3-phenylpropanamido)benzoic acid
CAS Registry NumberNot Available
SMILES
CN(C(=O)CCC1=CC=CC=C1)C1=CC=CC=C1C(O)=O
InChI Identifier
InChI=1S/C17H17NO3/c1-18(15-10-6-5-9-14(15)17(20)21)16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21)
InChI KeyAPLMLPAZZRMWPT-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentAcylaminobenzoic acid and derivatives
Alternative Parents
Substituents
  • Acylaminobenzoic acid or derivatives
  • Benzoic acid
  • Anilide
  • Benzoyl
  • Vinylogous amide
  • Tertiary carboxylic acid amide
  • Carboxamide group
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point107 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB010822
KNApSAcK IDNot Available
Chemspider ID8716332
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10540941
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .