chempirical

Tasimelteon

C15H19NO2CAS 609799-22-6245.32 g/mol

Open in Covalent MOL file
OHNO
Ether

Properties

Molecular formula
C15H19NO2
Molar mass
245.32 g/mol
Exact mass
245.1416 Da
logP
3.09Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
609799-22-6
SMILES
CCC(O)=NC[C@@H]1C[C@H]1c1cccc2c1CCO2
InChIKey
PTOIAAWZLUQTIO-GXFFZTMASA-N
InChI
InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Propanamide, N-[[(1R,2R)-2-(2,3-dihydro-4-benzofuranyl)cyclopropyl]methyl]-
  • N-[[(1R,2R)-2-(2,3-Dihydro-4-benzofuranyl)cyclopropyl]methyl]propanamide
  • BMS 214778
  • (1R-Trans)-N-[[2-(2,3-Dihydro-4-benzofuranyl)cyclopropyl]methyl]propanamide
  • MA 1
  • VEC 162
  • N-[[(1R,2R)-2-(2,3-Dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide
  • Hetlioz
  • (-)-Tasimelteon

Work with Tasimelteon

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

Ramelteon196597-26-949 % similar 2,3-Dihydro-4-benzofuranethanol199391-76-934 % similar 4-Ethenyl-2,3-dihydrobenzofuran230642-84-932 % similar

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

Same formula

1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol131801-69-9 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol93413-76-4 Phenylmethyl (2S,3as,6as)-octahydrocyclopenta[B]pyrrole-2-carboxylate93779-31-8

Elsewhere

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