N-(2,3-dihydro-1H-inden-2-yl)-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide

• ChemBase ID: 620436
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: C(=O)(N(C1Cc2c(C1)cccc2)CCC)c1ccc(N2C(=O)CCC2)cc1
• Canonical SMILES: CCCN(C(=O)c1ccc(cc1)N1CCCC1=O)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C23H26N2O2/c1-2-13-25(21-15-18-6-3-4-7-19(18)16-21)23(27)17-9-11-20(12-10-17)24-14-5-8-22(24)26/h3-4,6-7,9-12,21H,2,5,8,13-16H2,1H3
• InChIKey: ZGOWQZQBWADDMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5921378
• LogD (pH = 7.4): 3.5921378
• Log P: 3.5921378
• Molar Refractivity: 107.424 cm^3
• Polarizability: 40.9059 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.29
• LOG S: -4.65
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5