N-[2-(4-methoxyphenyl)phenyl]-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide

• ChemBase ID: 841991
• Molecular Formular: C23H26N2O3
• Molecular Mass: 378.46414
• Monoisotopic Mass: 378.1943427
• SMILES: N1(C(=O)C2(CC2)C)C(C(=O)Nc2c(c3ccc(cc3)OC)cccc2)CCC1
• Canonical SMILES: COc1ccc(cc1)c1ccccc1NC(=O)C1CCCN1C(=O)C1(C)CC1
• InChI: InChI=1S/C23H26N2O3/c1-23(13-14-23)22(27)25-15-5-8-20(25)21(26)24-19-7-4-3-6-18(19)16-9-11-17(28-2)12-10-16/h3-4,6-7,9-12,20H,5,8,13-15H2,1-2H3,(H,24,26)
• InChIKey: DYLNQYYXZDPLGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)phenyl]-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)phenyl]-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
• Synonyms: N-(4'-methoxy-2-biphenylyl)-1-[(1-methylcyclopropyl)carbonyl]prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.782642
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7724671
• LogD (pH = 7.4): 3.7724657
• Log P: 3.7724674
• Molar Refractivity: 109.4071 cm^3
• Polarizability: 43.160885 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.58
• LOG S: -4.61
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4