4-methoxy-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide

• ChemBase ID: 428393
• Molecular Formular: C21H24N2O3
• Molecular Mass: 352.42686
• Monoisotopic Mass: 352.17869264
• SMILES: C1(=O)N(CC(C1)NC(=O)c1ccc(cc1)OC)CCCc1ccccc1
• Canonical SMILES: COc1ccc(cc1)C(=O)NC1CC(=O)N(C1)CCCc1ccccc1
• InChI: InChI=1S/C21H24N2O3/c1-26-19-11-9-17(10-12-19)21(25)22-18-14-20(24)23(15-18)13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3,(H,22,25)
• InChIKey: VOQOGTNDZUQJCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
• IUPAC Traditional name: 4-methoxy-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
• Synonyms: 4-methoxy-N-[5-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.145809
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5912414
• LogD (pH = 7.4): 2.5912416
• Log P: 2.5912416
• Molar Refractivity: 100.5657 cm^3
• Polarizability: 38.640434 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.79
• LOG S: -3.94
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6