N-[2-(3-methoxyphenyl)ethyl]-2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

• ChemBase ID: 406472
• Molecular Formular: C26H32N2O5
• Molecular Mass: 452.54268
• Monoisotopic Mass: 452.23112213
• SMILES: C1(C(=O)N(C(=O)C1)CCCOC)(c1c(C)cccc1)CC(=O)NCCc1cc(OC)ccc1
• Canonical SMILES: COCCCN1C(=O)CC(C1=O)(CC(=O)NCCc1cccc(c1)OC)c1ccccc1C
• InChI: InChI=1S/C26H32N2O5/c1-19-8-4-5-11-22(19)26(18-24(30)28(25(26)31)14-7-15-32-2)17-23(29)27-13-12-20-9-6-10-21(16-20)33-3/h4-6,8-11,16H,7,12-15,17-18H2,1-3H3,(H,27,29)
• InChIKey: LTOVTVYPHJTLIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-methoxyphenyl)ethyl]-2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
• IUPAC Traditional name: N-[2-(3-methoxyphenyl)ethyl]-2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
• Synonyms: N-[2-(3-methoxyphenyl)ethyl]-2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.539646
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.3859382
• LogD (pH = 7.4): 2.3859382
• Log P: 2.3859382
• Molar Refractivity: 126.1148 cm^3
• Polarizability: 48.760105 Å^3
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.92
• LOG S: -5.51
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 9