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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:18 UTC
Update Date2025-03-25 01:00:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245476
Frequency0.5
Structure
Chemical FormulaC14H23N3O
Molecular Mass249.1841
SMILESCCN(CC)CC(=O)Nc1ccc(C(C)C)cn1
InChI KeyOZUJGSIEWIYXAI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • methylpyridines
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • polyhalopyridines
  • secondary carboxylic acid amides
  • trialkylamines
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • n-arylamide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • 2-halopyridine
  • imidolactam
  • tertiary amine
  • organoheterocyclic compound
  • alpha-amino acid amide
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • carboxamide group
  • secondary carboxylic acid amide
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound