chempirical

Pravadoline

C23H26N2O3CAS 92623-83-1378.47 g/mol

Open in Covalent MOL file
OONNO
EtherKetoneTertiary amine

Properties

Molecular formula
C23H26N2O3
Molar mass
378.47 g/mol
Exact mass
378.1943 Da
Melting point
104–105 °C
logP
3.52Crippen estimate
Polar surface area
43.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
92623-83-1
SMILES
COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1
InChIKey
MEUQWHZOUDZXHH-UHFFFAOYSA-N
InChI
InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Methanone, (4-methoxyphenyl)[2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl]-
  • (4-Methoxyphenyl)[2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl]methanone
  • WIN 48098
  • (4-Methoxyphenyl)(2-methyl-1-(2-morpholinoethyl)-1H-indol-3-yl)methanone
  • (4-Methoxyphenyl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone

Work with Pravadoline

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

4-Methoxybenzophenone611-94-942 % similar 4,4′-Dimethoxybenzophenone90-96-039 % similar 2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-(4-morpholinyl)ethanone2854-32-237 % similar 2-(4-Methoxybenzoyl)benzoic acid1151-15-136 % similar (4-Fluorophenyl)(4-methoxyphenyl)methanone345-89-135 % similar Piboserod152811-62-635 % similar Oxybenzone131-57-733 % similar Win 55,212-2 mesylate131543-23-233 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook