2-[3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide

• ChemBase ID: 430363
• Molecular Formular: C25H29ClN2O4
• Molecular Mass: 456.96176
• Monoisotopic Mass: 456.1815851
• SMILES: C1(C(=O)N(C(=O)C1)CCCOC)(CC(=O)N(CCc1ccccc1)C)c1c(Cl)cccc1
• Canonical SMILES: COCCCN1C(=O)CC(C1=O)(CC(=O)N(CCc1ccccc1)C)c1ccccc1Cl
• InChI: InChI=1S/C25H29ClN2O4/c1-27(15-13-19-9-4-3-5-10-19)22(29)17-25(20-11-6-7-12-21(20)26)18-23(30)28(24(25)31)14-8-16-32-2/h3-7,9-12H,8,13-18H2,1-2H3
• InChIKey: GPFKEVTVSBGTGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide
• IUPAC Traditional name: 2-[3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide
• Synonyms: 2-[3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxo-3-pyrrolidinyl]-N-methyl-N-(2-phenylethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.5591
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8579087
• LogD (pH = 7.4): 2.8579087
• Log P: 2.8579087
• Molar Refractivity: 124.3119 cm^3
• Polarizability: 48.19422 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.65
• LOG S: -5.28
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 9