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Molecule
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
Identifiers
CAS Registry Number
111-58-0
SMILES
CCCCCCCC/C=CCCCCCCCC(O)=NCCO
InChI Key
BOWVQLFMWHZBEF-KTKRTIGZSA-N
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-
Names and Synonyms
- Oleoylethanolamide Common Name
- 9-Octadecenamide, N-(2-hydroxyethyl)-, (9Z)- Synonym
- Oleamide, N-(2-hydroxyethyl)- Synonym
- 9-Octadecenamide, N-(2-hydroxyethyl)-, (Z)- Synonym
- (9Z)-N-(2-Hydroxyethyl)-9-octadecenamide Synonym
- Oleic acid ethanolamide Synonym
- Oleic acid monoethanolamide Synonym
- N-Oleoylethanolamine Synonym
- N-Oleoyl-2-aminoethanol Synonym
- N-(2-Hydroxyethyl)oleamide Synonym
- AM 3101 Synonym
- Oleamide MEA Synonym
- Oleoylethanolamide Synonym
- N-(2-Hydroxyethyl)-9-Z-octadecenamide Synonym
- N-Oleoylethanolamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 325.54 g/mol | CAS Common Chemistry |
| 325.537 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 |
| 52.82 Ų | RDKit | |
| LogP | 5.972700000000008 | RDKit |
| 5.9727 | RDKit | |
| 6.45 | chempirical lib | |
| Molar Refractivity | 101.46860000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.85 | RDKit |
| Exact Mass | 325.298079488 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 325.54 g/mol. Edit any field — others recompute live.
