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Stearoylethanolamide
CAS: 111-57-9 | C20H41NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 111-57-9
- Molecular Formula
- C20H41NO2
- Molecular Mass
- 327.55 g/mol
Identifiers
CAS Registry Number
111-57-9
SMILES
CCCCCCCCCCCCCCCCCC(O)=NCCO
InChI Key
OTGQIQQTPXJQRG-UHFFFAOYSA-N
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)
Names and Synonyms
- Stearoylethanolamide Common Name
- Octadecanamide, N-(2-hydroxyethyl)- Synonym
- Stearic acid ethanolamide Synonym
- N-(2-Hydroxyethyl)octadecanamide Synonym
- Stearic ethylolamide Synonym
- Stearoylmonoethanolamide Synonym
- Stearic acid monoethanolamide Synonym
- Stearic ethanolamide Synonym
- N-(2-Hydroxyethyl)stearamide Synonym
- Stearic monoethanolamide Synonym
- Loramine S 280 Synonym
- Marlamid M 18 Synonym
- Clindrol 200MS Synonym
- Cycloamide SM Synonym
- Stearic monoethanolamine Synonym
- Onyx Wax EL Synonym
- Stearamide MEA Synonym
- N-Stearoylethanolamine Synonym
- Comperlan HS Synonym
- Emcol 70 Synonym
- Amisol SME Synonym
- Witcamide 70 Synonym
- Rewomid S 280 Synonym
- N-Octadecanoylethanolamine Synonym
- Monoethanolstearamide Synonym
- Ceramid Synonym
- Monamid S Synonym
- AM 1105 Synonym
- Alkamide S 280 Synonym
- S 280 Synonym
- Lubsize K 12 Synonym
- Mackamide SMA Synonym
- Profan SME Synonym
- NSC 3377 Synonym
- NSC 52619 Synonym
- Abriflo 65 Synonym
- Stearamide monoethanolamine Synonym
- Monamid 972 Synonym
- Aminon SM Synonym
- Stearoylethanolamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 327.55 g/mol | CAS Common Chemistry |
| 327.553 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Stearoylethanolamide | CAS Common Chemistry |
| Canonical SMILES | O=C(NCCO)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=OTGQIQQTPXJQRG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 103-104 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | N-Stearoylethanolamine | CAS Common Chemistry |
| Stearoylethanolamide | CAS Common Chemistry | |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 6.196700000000007 | RDKit |
| 6.1967 | RDKit | |
| 6.81 | chempirical lib | |
| Molar Refractivity | 101.56260000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.95 | RDKit |
| Exact Mass | 327.313729552 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
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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
Related
Related molecules
Other compounds with formula C20H41NO2.
