Structure Database (LMSD)

Common Name
N-Isobutyl-2,4-eicosadienamide
Systematic Name
N-(2-methylpropyl)icosa-2E,4E-dienamide
Synonyms
  • N-isobutyl eicosa-trans-2-trans-4-dienamide
LM ID
LMFA08020412
Formula
C24H45NO
Exact Mass
Calculate m/z
363.350114
Sum Composition
NA 24:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

String Representations

InChiKey (Click to copy)
LMZPUHBJSQVRHE-HYGARKJASA-N
InChi (Click to copy)
InChI=1S/C24H45NO/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/h18-21,23H,4-17,22H2,1-3H3,(H,25,26)/b19-18+,21-20+
SMILES (Click to copy)
C(/C=C/C=C/CCCCCCCCCCCCCCC)(=O)NCC(C)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Piper nigrum (#13216)
Magnoliopsida (#3398)
Occurrence of N-isobutyl eicosa-trans-2-trans-4-dienamide in Piper nigrum.,
Planta Med, 1976
Pubmed ID: 981396

Other Databases

PubChem CID
6441067

Calculated Physicochemical Properties

Heavy Atoms 26
Rings
Aromatic Rings
Rotatable Bonds 18
Van der Waals Molecular Volume 435.63
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.64
Molar Refractivity 116.93

Admin

Created at
25th Oct 2023
Updated at
25th Oct 2023