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Lacosamide
CAS: 175481-36-4 | C13H18N2O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
175481-36-4
Molecular Formula:
C13H18N2O3
Molecular Mass:
250.30 g/mol
Names and Synonyms:
Lacosamide
Propanamide, 2-(acetylamino)-3-methoxy-N-(phenylmethyl)-, (2R)-
Propanamide, 2-(acetylamino)-3-methoxy-N-(phenylmethyl)-, (R)-
(2R)-2-(Acetylamino)-3-methoxy-N-(phenylmethyl)propanamide
Erlosamide
SPM 927
Lacosamide
ADD 243037
Harkoseride
Vimpat
(2R)-2-Acetamido-N-benzyl-3-methoxypropanamide
(R)-2-Acetamido-N-benzyl-3-methoxypropionamide
Lacoset 50
Lacoset
Lacosamide UCB
Identifiers:
SMILES:
COC[C@@H](N=C(C)O)C(O)=NCc1ccccc1
InChI:
InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Key Properties
Melting Point
142-143 °C @ Solvent: Ethyl acetate
CAS Common Chemistry
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 | 250.30 g/mol | CAS Common Chemistry |
| 250.298 g/mol | RDKit | |
| 250.131742436 g/mol | RDKit | |
| Canonical SMILES | O=C(NC(C(=O)NCC=1C=CC=CC1)COC)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VPPJLAIAVCUEMN-GFCCVEGCSA-N | CAS Common Chemistry |
| Melting Point | 142-143 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | Lacosamide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 74.41 Ų | RDKit |
| LogP | 2.1345 | RDKit |
| Molar Refractivity | 71.61160000000004 | RDKit |
