chempirical

Lacosamide

C13H18N2O3CAS 175481-36-4250.30 g/mol

Open in Covalent MOL file
ONHOONH
Ether

Properties

Molecular formula
C13H18N2O3
Molar mass
250.30 g/mol
Exact mass
250.1317 Da
Melting point
142–143 °C
logP
2.13Crippen estimate
Polar surface area
74.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
175481-36-4
SMILES
COC[C@@H](N=C(C)O)C(O)=NCc1ccccc1
InChIKey
VPPJLAIAVCUEMN-GFCCVEGCSA-N
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

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Names and synonyms

13 names · show all
  • 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
  • ADD 243037
  • Harkoseride
  • Vimpat
  • (2R)-2-Acetamido-N-benzyl-3-methoxypropanamide
  • (R)-2-Acetamido-N-benzyl-3-methoxypropionamide
  • Lacoset 50
  • Lacoset
  • Lacosamide UCB

Work with Lacosamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Benzylacetamide588-46-554 % similar (-)-N-Acetylphenylalanine10172-89-147 % similar N-Acetyl-L-phenylalanine2018-61-347 % similar N-Acetyl-dl-phenylalanine2901-75-947 % similar Benzylmercapturic acid19542-77-943 % similar N-(2-Phenylethyl)acetamide877-95-242 % similar N-Benzylbenzamide1485-70-740 % similar 3-Oxo-N-(phenylmethyl)butanamide882-36-037 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,2-Dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile68612-94-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook