Back to Search
Oleoylethanolamide
CAS: 111-58-0 | C20H39NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-58-0
Molecular Formula:
C20H39NO2
Molecular Mass:
325.54 g/mol
Names and Synonyms:
Oleoylethanolamide
9-Octadecenamide, N-(2-hydroxyethyl)-, (9Z)-
Oleamide, N-(2-hydroxyethyl)-
9-Octadecenamide, N-(2-hydroxyethyl)-, (Z)-
(9Z)-N-(2-Hydroxyethyl)-9-octadecenamide
Oleic acid ethanolamide
Oleic acid monoethanolamide
N-Oleoylethanolamine
N-Oleoyl-2-aminoethanol
N-(2-Hydroxyethyl)oleamide
AM 3101
Oleamide MEA
Oleoylethanolamide
N-(2-Hydroxyethyl)-9-Z-octadecenamide
N-Oleoylethanolamide
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCC(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-
Key Properties
Melting Point
63-64 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 325.54 g/mol | CAS Common Chemistry |
| 325.537 g/mol | RDKit | |
| 325.298079488 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Oleoylethanolamide | CAS Common Chemistry |
| Canonical SMILES | O=C(NCCO)CCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| 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- | CAS Common Chemistry |
| InChI Key | InChIKey=BOWVQLFMWHZBEF-KTKRTIGZSA-N | CAS Common Chemistry |
| Melting Point | 63-64 °C | CAS Common Chemistry |
| Name | Oleoylethanolamide | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| LogP | 5.972700000000008 | RDKit |
| Molar Refractivity | 101.46860000000007 | RDKit |
