N-oleoylethanolamide   Click here for help

GtoPdb Ligand ID: 2661

Synonyms: N-oleoylethanolamine | NOE | OEA | oleylethanolamide
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 18
Topological polar surface area 49.33
Molecular weight 325.3
XLogP 7.27
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)NCCO
Isomeric SMILES CCCCCCCC/C=C\CCCCCCCC(=O)NCCO
InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
InChI Key BOWVQLFMWHZBEF-KTKRTIGZSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(Z)-N-(2-hydroxyethyl)octadec-9-enamide
Synonyms Click here for help
N-oleoylethanolamine | NOE | OEA | oleylethanolamide
Database Links Click here for help
BindingDB Ligand 29080
CAS Registry No. 111-58-0 (source: Scifinder)
ChEMBL Ligand CHEMBL280065
GtoPdb PubChem SID 135651533
PubChem CID 5283454
Search Google for chemical match using the InChIKey BOWVQLFMWHZBEF-KTKRTIGZSA-N
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Search UniChem for chemicals with the same backbone BOWVQLFMWHZBEF
Wikipedia Oleoylethanolamide

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Tocris
Oleylethanolamide
Cat. No. 1484