Structure Database (LMSD)

Systematic Name
2E,4E-undecadien-8,10-diynoic acid phenethylamide
Synonyms
LM ID
LMFA08020368
Formula
C19H19NO
Exact Mass
Calculate m/z
277.146664
Sum Composition
NA 19:10
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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
Achillea ptarmica (#133233)
Magnoliopsida (#3398)
Antiprotozoal activity of Achillea ptarmica (Asteraceae) and its main alkamide constituents.,
Molecules, 2014
Pubmed ID: 24853616

String Representations

InChiKey (Click to copy)
NYVJFZJCDZTINK-GHKBDNCUSA-N
InChi (Click to copy)
InChI=1S/C19H19NO/c1-2-3-4-5-6-7-8-12-15-19(21)20-17-16-18-13-10-9-11-14-18/h1,7-15H,5-6,16-17H2,(H,20,21)/b8-7+,15-12+
SMILES (Click to copy)
C(/C=C/C=C/CCC#CC#C)(=O)NCCC1=CC=CC=C1

Other Databases

PubChem CID
21681002

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 7
Van der Waals Molecular Volume 307.39
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.16
Molar Refractivity 87.77

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Created at
21st Oct 2021
Updated at
21st Oct 2021