Summary

IMPPAT Phytochemical identifier: IMPHY000299

Phytochemical name: Isovaleramide

Synonymous chemical names:
isovaleramide

External chemical identifiers:
CID:10930, ChEMBL:CHEMBL171066, ZINC:ZINC000000158116, FDASRS:9CP4KB634M, SureChEMBL:SCHEMBL9641, MolPort-000-142-044

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Chemical structure information

SMILES:
CC(CC(=O)N)C

InChI:
InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)

InChIKey:
SANOUVWGPVYVAV-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)N)))C

Functional groups:
CC(N)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty amides

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Peptide alkaloids

NP-Likeness score: 0.173

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Chemical structure download