Hmdb loader
Show more...Show more...Show more...
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:29:59 UTC
Update Date2022-03-07 02:52:08 UTC
HMDB IDHMDB0029366
Secondary Accession Numbers
  • HMDB29366
Metabolite Identification
Common NameN-[2-(4-Hydroxyphenyl)ethyl]benzamide
DescriptionN-[2-(4-Hydroxyphenyl)ethyl]benzamide, also known as N-benzoyltyramine, belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. Based on a literature review very few articles have been published on N-[2-(4-Hydroxyphenyl)ethyl]benzamide.
Structure
Data?1582753409
Synonyms
ValueSource
N-(4-Hydroxyphenethyl)benzamideHMDB
N-BenzoyltyramineHMDB
N-[2-(4-Hydroxyphenyl)ethyl]benzamide, 9ciHMDB
N-[2-(4-Hydroxyphenyl)ethyl]benzenecarboximidateHMDB
Chemical FormulaC15H15NO2
Average Molecular Weight241.2851
Monoisotopic Molecular Weight241.110278729
IUPAC Name(Z)-N-[2-(4-hydroxyphenyl)ethyl]benzene-1-carboximidic acid
Traditional Name(Z)-N-[2-(4-hydroxyphenyl)ethyl]benzene-1-carboximidic acid
CAS Registry Number41859-54-5
SMILES
O\C(=N/CCC1=CC=C(O)C=C1)C1=CC=CC=C1
InChI Identifier
InChI=1S/C15H15NO2/c17-14-8-6-12(7-9-14)10-11-16-15(18)13-4-2-1-3-5-13/h1-9,17H,10-11H2,(H,16,18)
InChI KeyMUCNBPCTSRYLCB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub Class1-hydroxy-2-unsubstituted benzenoids
Direct Parent1-hydroxy-2-unsubstituted benzenoids
Alternative Parents
Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidic acid derivative
  • Carboximidic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point161 - 162 °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
  • Cytoplasm
  • Extracellular
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 IDFDB000434
KNApSAcK IDC00053991
Chemspider ID502117
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound577614
PDB IDNot Available
ChEBI ID354566
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.. .