Docosanoyl ethanolamide is a saturated N-acylethanolamide. Studies have indicated that saturated ethanolamides may have a role in the functioning of ion channels.
| Canonical Smiles | CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO |
|---|---|
| IUPAC Name | N-(2-hydroxyethyl)docosanamide |
| InChIKey | XHFWUECSNJWBJU-UHFFFAOYSA-N |
| INCHI | 1S/C24H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h26H,2-23H2,1H3,(H,25,27) |
| Isomeric SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO |
| Molecular Weight | 383.65 |
| Reaxy-Rn | 19113007 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19113007&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Alkanolamines - 1,2-aminoalcohols |
| Direct Parent | N-acylethanolamines |
| Alternative Parents | N-acyl amines Secondary carboxylic acid amides Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | N-acylethanolamine - Fatty amide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alcohol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acylethanolamines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of ethanolamine. |
| External Descriptors | N-acyl ethanolamines (endocannabinoids) |
| Solubility | Soluble in chloroform (~0.3 mg/ml), water (0.15 mg/ml at 20° C), ethanol, DMF, and DMSO. |
|---|---|
| Refractive Index | n20D1.47 (Predicted) |
| Boil Point(°C) | ~533.4° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 222.19° C (Predicted) |
| Molecular Weight | 383.700 g/mol |
| XLogP3 | 9.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 22 |
| Exact Mass | 383.376 Da |
| Monoisotopic Mass | 383.376 Da |
| Topological Polar Surface Area | 49.300 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 294.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
