SEA   Click here for help

GtoPdb Ligand ID: 3621

Synonyms: N-stearoylethanolamine | stearoylethanolamide
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 19
Topological polar surface area 49.33
Molecular weight 327.31
XLogP 7.79
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)NCCO
Isomeric SMILES CCCCCCCCCCCCCCCCCC(=O)NCCO
InChI InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)
InChI Key OTGQIQQTPXJQRG-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
N-(2-Hydroxyethyl)octadecanamide
Synonyms Click here for help
N-stearoylethanolamine | stearoylethanolamide
Database Links Click here for help
CAS Registry No. 111-57-9 (source: Scifinder)
ChEMBL Ligand CHEMBL171447
GtoPdb PubChem SID 178100538
PubChem CID 27902
Search Google for chemical match using the InChIKey OTGQIQQTPXJQRG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OTGQIQQTPXJQRG
Search UniChem for chemical match using the InChIKey OTGQIQQTPXJQRG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OTGQIQQTPXJQRG
Wikipedia Stearoylethanolamide