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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:50:54 UTC
Update Date2023-02-21 17:22:33 UTC
HMDB IDHMDB0032635
Secondary Accession Numbers
  • HMDB32635
Metabolite Identification
Common NameN,N-Diethylbenzeneacetamide
DescriptionN,N-Diethylbenzeneacetamide, also known as N,N-diethylphenylacetamide or DEPA, belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. Based on a literature review very few articles have been published on N,N-Diethylbenzeneacetamide.
Structure
Data?1677000153
Synonyms
ValueSource
DEPAKegg
Benzeneacetamide, N,N-diethyl- (9ci)HMDB
N,N-Diethyl phenylacetamideHMDB
N,N-Diethyl-2-phenyl-acetamideHMDB
N,N-Diethyl-2-phenylacetamideHMDB
N,N-Diethyl-benzeneacetamideHMDB
N,N-Diethylbenzeneacetamide, 9ciHMDB
N,N-DiethylphenylacetamideHMDB
NN-Diethyl-benzeneacetamideHMDB
Phenyl-N, N-diethylacetamideHMDB
Phenyl-N,N-diethylacetamideHMDB
Diethyl phenyl acetamideHMDB
Chemical FormulaC12H17NO
Average Molecular Weight191.2695
Monoisotopic Molecular Weight191.131014171
IUPAC NameN,N-diethyl-2-phenylacetamide
Traditional NameDEPA
CAS Registry Number2431-96-1
SMILES
CCN(CC)C(=O)CC1=CC=CC=C1
InChI Identifier
InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChI KeyUXDAWVUDZLBBAM-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenylacetamides
Direct ParentPhenylacetamides
Alternative Parents
Substituents
  • Phenylacetamide
  • Tertiary carboxylic acid amide
  • Carboxamide group
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point86 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP2.40Not 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 IDFDB010579
KNApSAcK IDC00054070
Chemspider ID16161
KEGG Compound IDC10938
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound17076
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.. .