Structure Database (LMSD)

Common Name
N-(2E,14Z-eicosanoyl)-isobutylamine
Systematic Name
(2E,14Z)-N-isobutyleicosa-2,14-dienamide
Synonyms
LM ID
LMFA08020420
Formula
C24H45NO
Exact Mass
Calculate m/z
363.350114
Sum Composition
NA 24:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Piper retrofractum (#130414)
Magnoliopsida (#3398)
New cytotoxic and antifungal amides from the fruit of Piper retrofractum,
Planta Medica, 2015

String Representations

InChiKey (Click to copy)
VRWQVWHIMCRHFZ-MOHYWQNXSA-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/h8-9,20-21,23H,4-7,10-19,22H2,1-3H3,(H,25,26)/b9-8-,21-20+
SMILES (Click to copy)
C(/C=C/CCCCCCCCCC/C=C\CCCCC)(=O)NCC(C)C

Other Databases

PubChem CID
122385043

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
5th Mar 2024
Updated at
5th Mar 2024