N-oleoylethanolamide   Click here for help

GtoPdb Ligand ID: 2661

Synonyms: N-oleoylethanolamine | NOE | OEA | oleylethanolamide
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel