Structure Database (LMSD)

Systematic Name
Deca-2E,4E-dienoic acid 2-phenylethylamide
Synonyms
  • N-(2-phenylethyl)deca-2E,4E-dienamide
LM ID
LMFA08020372
Formula
C18H25NO
Exact Mass
Calculate m/z
271.193614
Sum Composition
NA 18:6
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
Anacyclus pyrethrum (#159698)
Magnoliopsida (#3398)
Alkamides from Anacyclus pyrethrum L. and Their in Vitro Antiprotozoal Activity.,
Molecules, 2017
Pubmed ID: 28498323

String Representations

InChiKey (Click to copy)
JDDRCLDJHAZTTI-WXGDJGGUSA-N
InChi (Click to copy)
InChI=1S/C18H25NO/c1-2-3-4-5-6-7-11-14-18(20)19-16-15-17-12-9-8-10-13-17/h6-14H,2-5,15-16H2,1H3,(H,19,20)/b7-6+,14-11+
SMILES (Click to copy)
C(/C=C/C=C/CCCCC)(=O)NCCC1=CC=CC=C1

Other Databases

PubChem CID
14015869

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 1
Rotatable Bonds 9
Van der Waals Molecular Volume 300.65
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.32
Molar Refractivity 86.07

Admin

Created at
25th Oct 2021
Updated at
25th Oct 2021