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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
Names and Synonyms:
Stearoylethanolamide
Octadecanamide, N-(2-hydroxyethyl)-
Stearic acid ethanolamide
N-(2-Hydroxyethyl)octadecanamide
Stearic ethylolamide
Stearoylmonoethanolamide
Stearic acid monoethanolamide
Stearic ethanolamide
N-(2-Hydroxyethyl)stearamide
Stearic monoethanolamide
Loramine S 280
Marlamid M 18
Clindrol 200MS
Cycloamide SM
Stearic monoethanolamine
Onyx Wax EL
Stearamide MEA
N-Stearoylethanolamine
Comperlan HS
Emcol 70
Amisol SME
Witcamide 70
Rewomid S 280
N-Octadecanoylethanolamine
Monoethanolstearamide
Ceramid
Monamid S
AM 1105
Alkamide S 280
S 280
Lubsize K 12
Mackamide SMA
Profan SME
NSC 3377
NSC 52619
Abriflo 65
Stearamide monoethanolamine
Monamid 972
Aminon SM
Stearoylethanolamide
Identifiers:
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)
Key Properties
Melting Point
103-104 °C @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 327.55 g/mol | CAS Common Chemistry |
| 327.553 g/mol | RDKit | |
| 327.313729552 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 |
| LogP | 6.196700000000007 | RDKit |
| Molar Refractivity | 101.56260000000007 | RDKit |
