Summary

IMPPAT Phytochemical identifier: IMPHY006232

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

Synonymous chemical names:
2,4-dodecadienoic acid isobutylamide, n-isobutyldodeca-trans-2,4-dienamide

External chemical identifiers:
CID:6443006, ChEMBL:CHEMBL426912, ChEBI:70101, ZINC:ZINC000036294914, FDASRS:5F4WO3BVS9, SureChEMBL:SCHEMBL2262688, MolPort-005-944-951

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Chemical structure information

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

InChI:
InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+

InChIKey:
BBRMJCAPNGJKEM-AQASXUMVSA-N

DeepSMILES:
CCCCCCC/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: 0.997

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Chemical structure download