2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide

• ChemBase ID: 611162
• Molecular Formular: C21H24N2O3
• Molecular Mass: 352.42686
• Monoisotopic Mass: 352.17869264
• SMILES: c1(C(=O)NC2CC(=O)N(C2)CCCc2ccccc2)c(ccc(c1)C)O
• Canonical SMILES: Cc1ccc(c(c1)C(=O)NC1CC(=O)N(C1)CCCc1ccccc1)O
• InChI: InChI=1S/C21H24N2O3/c1-15-9-10-19(24)18(12-15)21(26)22-17-13-20(25)23(14-17)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,24H,5,8,11,13-14H2,1H3,(H,22,26)
• InChIKey: WVLRAVUQENGRTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
• IUPAC Traditional name: 2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
• Synonyms: 2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.5446
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.6083798
• LogD (pH = 7.4): 3.5789142
• Log P: 3.608769
• Molar Refractivity: 101.1246 cm^3
• Polarizability: 38.494076 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.51
• LOG S: -4.19
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 6