3-(2-benzyl-5-oxopyrrolidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

• ChemBase ID: 423150
• Molecular Formular: C24H28N2O2
• Molecular Mass: 376.49132
• Monoisotopic Mass: 376.21507815
• SMILES: N1C(Cc2ccccc2)(CCC(=O)NC2c3c(CCC2)cccc3)CCC1=O
• Canonical SMILES: O=C(NC1CCCc2c1cccc2)CCC1(CCC(=O)N1)Cc1ccccc1
• InChI: InChI=1S/C24H28N2O2/c27-22(25-21-12-6-10-19-9-4-5-11-20(19)21)13-15-24(16-14-23(28)26-24)17-18-7-2-1-3-8-18/h1-5,7-9,11,21H,6,10,12-17H2,(H,25,27)(H,26,28)
• InChIKey: DWSUXVJMTAIDLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-benzyl-5-oxopyrrolidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• IUPAC Traditional name: 3-(2-benzyl-5-oxopyrrolidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• Synonyms: 3-(2-benzyl-5-oxo-2-pyrrolidinyl)-N-(1,2,3,4-tetrahydro-1-naphthalenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.441152
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5507174
• LogD (pH = 7.4): 3.5507176
• Log P: 3.5507176
• Molar Refractivity: 110.2376 cm^3
• Polarizability: 42.905945 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.58
• LOG S: -3.55
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 6