N-(2-methylbutyl)-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

• ChemBase ID: 369127
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: N1C(Cc2cc3c(cc2)cccc3)(CCC(=O)NCC(CC)C)CCC1=O
• Canonical SMILES: CCC(CNC(=O)CCC1(CCC(=O)N1)Cc1ccc2c(c1)cccc2)C
• InChI: InChI=1S/C23H30N2O2/c1-3-17(2)16-24-21(26)10-12-23(13-11-22(27)25-23)15-18-8-9-19-6-4-5-7-20(19)14-18/h4-9,14,17H,3,10-13,15-16H2,1-2H3,(H,24,26)(H,25,27)
• InChIKey: YVPSFQQUUQPHPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylbutyl)-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
• IUPAC Traditional name: N-(2-methylbutyl)-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
• Synonyms: N-(2-methylbutyl)-3-[2-(2-naphthylmethyl)-5-oxo-2-pyrrolidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.688486
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5157998
• LogD (pH = 7.4): 3.5158
• Log P: 3.5158
• Molar Refractivity: 108.2386 cm^3
• Polarizability: 43.491974 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.81
• LOG S: -3.48
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 7