Summary

IMPPAT Phytochemical identifier: IMPHY008773

Phytochemical name: (2E,4E)-N-(2-methylpropyl)octadeca-2,4-dienamide

Synonymous chemical names:
n-isobutyl-2e,4e-octadecadienamide

External chemical identifiers:
CID:9974234, ChEMBL:CHEMBL256217, ChEBI:165576, ZINC:ZINC000043617340

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Chemical structure information

SMILES:
CCCCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C

InChI:
InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)/b17-16+,19-18+

InChIKey:
QQCGKIZHTJLRNN-NBRVCOCJSA-N

DeepSMILES:
CCCCCCCCCCCCC/C=C/C=C/C=O)NCCC)C

Functional groups:
C/C=C/C=C/C(=O)NC

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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: Fatty acids

NP Classifier Superclass: Fatty amides

NP Classifier Class: N-acyl amines

NP-Likeness score: 0.748

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Chemical structure download