Chemical Molecules



Molecule Details

Molecule ID MOL62
Compound Name oleamide
⤓Download 2D Structure File ⤓Download 3D Structure File View Structure Image Structure Image

Primary Details

Compound Name oleamide
Synonym Name Oleic acid amide
CAS ID 301-02-0
IUPAC Name (Z)-octadec-9-enamide
Molecular Formula C18H35NO
Chemical Safety Irritant
External Database ID

5283387

Inchi InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-
INCHI Key FATBGEAMYMYZAF-KTKRTIGZSA-N
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)N
Molecule Type Natural
Group Phytochemicals
Sub-Group 1 -
Sub-Group 2 -
Sub-Group 3 -
Sub-Group 4 -
Sub-Group 5 -
Description

 

Chemical & Physical Properties

Molecular Weight 281.5 g/mol
LogP (Octanol-Water) 6.443
Hydrogen Donor Count 1
Bond Acceptor Count 1
Rotable Bond Count 15
Topological Surface Area 43.1 Ų
Heavy Atom Count 20
Melting Point 76 °C
Boiling Point Nil
Water Solubility INSOL IN WATER; SOL IN ETHER, HOT ALCOHOL
Henry's Law Constant Nil
pKa Dissociation Constant Nil
Vapour Pressure 0.0000012 [mmHg]
Molecule Density 0.94
Molecule Stability Nil
Kovats retention Index Standard polar: 3265
Physical Description

Liquid; Other Solid; Pellets or Large Crystals; Dry Powder, Pellets or Large Crystals, Other Solid; Dry Powder, Pellets or Large Crystals; Dry Powder.

Spectra Information

No data found

Biological Activities

Activity Name
Molecule Target
Comment

 

References
  1. Xiong, G., Wu, Z., Yi, J., Fu, L., Yang, Z., Hsieh, C., ... & Cao, D. (2021). ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic acids research, 49(W1), W5-W14.
  2. Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., ... & Bolton, E. E. (2019). PubChem 2019 update: improved access to chemical data. Nucleic acids research, 47(D1), D1102-D1109.

Other Details

No data found

Plants

No data found

Crude Drugs

No data found