Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:32 UTC
Update Date2025-03-25 00:47:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161366
Frequency0.5
Structure
Chemical FormulaC17H20N2O2
Molecular Mass284.1525
SMILESNC(Cc1ccccc1)C(O)CNC(=O)c1ccccc1
InChI KeyJSCSQJIWJYXHSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amphetamines and derivatives
  • benzamides
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • alcohol
  • benzoyl
  • benzoic acid or derivatives
  • carboxamide group
  • carboxylic acid derivative
  • benzamide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • phenylbutylamine
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amphetamine or derivatives