N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]-N-(propan-2-yl)propanamide

• ChemBase ID: 360867
• Molecular Formular: C22H28N2O2
• Molecular Mass: 352.46992
• Monoisotopic Mass: 352.21507815
• SMILES: N1C(Cc2c3c(ccc2)cccc3)(CCC(=O)N(C(C)C)C)CCC1=O
• Canonical SMILES: O=C1CCC(N1)(CCC(=O)N(C(C)C)C)Cc1cccc2c1cccc2
• InChI: InChI=1S/C22H28N2O2/c1-16(2)24(3)21(26)12-14-22(13-11-20(25)23-22)15-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,16H,11-15H2,1-3H3,(H,23,25)
• InChIKey: BNFYGCPIAHWGJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]-N-(propan-2-yl)propanamide
• IUPAC Traditional name: N-isopropyl-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
• Synonyms: N-isopropyl-N-methyl-3-[2-(1-naphthylmethyl)-5-oxo-2-pyrrolidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.684608
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.823987
• LogD (pH = 7.4): 2.8239872
• Log P: 2.8239872
• Molar Refractivity: 103.9575 cm^3
• Polarizability: 41.646534 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.01
• LOG S: -2.51
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5