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Anandamide
CAS: 94421-68-8 | C22H37NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
94421-68-8
Molecular Formula:
C22H37NO2
Molecular Mass:
347.54 g/mol
Names and Synonyms:
Anandamide
5,8,11,14-Eicosatetraenamide, N-(2-hydroxyethyl)-, (5Z,8Z,11Z,14Z)-
5,8,11,14-Eicosatetraenamide, N-(2-hydroxyethyl)-, (all-Z)-
(5Z,8Z,11Z,14Z)-N-(2-Hydroxyethyl)-5,8,11,14-eicosatetraenamide
Anandamide
Arachidonylethanolamide
N-(2-Hydroxyethyl)arachidonamide
N-(2-Hydroxyethyl)arachidonylamide
N-Arachidonylethanolamine
N-Arachidonoylethanolamide
N-Arachidonylethanolamide
N-Arachidonoylethanolamine
Arachidonoyl ethanolamide
Identifiers:
SMILES:
CCCCC/C=CC/C=CC/C=CC/C=CCCCC(O)=NCCO
InChI:
InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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 | 347.54 g/mol | CAS Common Chemistry |
| 347.5430000000001 g/mol | RDKit | |
| 347.282429424 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Anandamide | CAS Common Chemistry |
| Canonical SMILES | O=C(NCCO)CCCC=CCC=CCC=CCC=CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15- | CAS Common Chemistry |
| InChI Key | InChIKey=LGEQQWMQCRIYKG-DOFZRALJSA-N | CAS Common Chemistry |
| Name | Anandamide | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| LogP | 6.080900000000007 | RDKit |
| Molar Refractivity | 110.42060000000006 | RDKit |
