N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-3-(pyridin-4-yl)propanamide

• ChemBase ID: 643406
• Molecular Formular: C20H24N2O
• Molecular Mass: 308.41736
• Monoisotopic Mass: 308.1888634
• SMILES: C1(N(C(=O)CCc2ccncc2)CCC)Cc2c(C1)cccc2
• Canonical SMILES: CCCN(C1Cc2c(C1)cccc2)C(=O)CCc1ccncc1
• InChI: InChI=1S/C20H24N2O/c1-2-13-22(19-14-17-5-3-4-6-18(17)15-19)20(23)8-7-16-9-11-21-12-10-16/h3-6,9-12,19H,2,7-8,13-15H2,1H3
• InChIKey: CGODSJBQLXCBAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-3-(pyridin-4-yl)propanamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-3-(pyridin-4-yl)propanamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-3-pyridin-4-ylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3538542
• LogD (pH = 7.4): 3.4686792
• Log P: 3.4704201
• Molar Refractivity: 93.0453 cm^3
• Polarizability: 36.093334 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.36
• LOG S: -3.02
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 6