N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide

• ChemBase ID: 424536
• Molecular Formular: C22H26N2O
• Molecular Mass: 334.45464
• Monoisotopic Mass: 334.20451346
• SMILES: C(=O)(N(CC1CN(c2ccccc2)CC1)C)c1cc2c(cc1)CCC2
• Canonical SMILES: CN(C(=O)c1ccc2c(c1)CCC2)CC1CCN(C1)c1ccccc1
• InChI: InChI=1S/C22H26N2O/c1-23(22(25)20-11-10-18-6-5-7-19(18)14-20)15-17-12-13-24(16-17)21-8-3-2-4-9-21/h2-4,8-11,14,17H,5-7,12-13,15-16H2,1H3
• InChIKey: NJYBHUZKFLMLTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
• IUPAC Traditional name: N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
• Synonyms: N-methyl-N-[(1-phenyl-3-pyrrolidinyl)methyl]-5-indanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1029253
• LogD (pH = 7.4): 4.2521615
• Log P: 4.254439
• Molar Refractivity: 103.8788 cm^3
• Polarizability: 38.871967 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 3.37
• LOG S: -4.52
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4