Summary

IMPPAT Phytochemical identifier: IMPHY002333

Phytochemical name: N-isobutyl-2e,4e,8z-eicosatrienamide

Synonymous chemical names:
n-isobutyl-2e,4e,8z-eicosatrienamide

Chemical structure information

SMILES:
CCCCCCCCCCC/C=CCC/C=C/C=C/C(=O)NCC(C)C

InChI:
InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h14-15,18-21,23H,4-13,16-17,22H2,1-3H3,(H,25,26)/b15-14-,19-18+,21-20+

InChIKey:
WBBCNGSATYECFE-DMJZPDMHSA-N

DeepSMILES:
CCCCCCCCCCC/C=CCC/C=C/C=C/C=O)NCCC)C

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

---

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: 0.908

---

Chemical structure download