N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-N-(propan-2-yl)acetamide

• ChemBase ID: 349936
• Molecular Formular: C24H36N2O5
• Molecular Mass: 432.55304
• Monoisotopic Mass: 432.26242226
• SMILES: N1(C(=O)C(CC1=O)(CC(=O)N(C(C)C)CCOC)c1ccc(cc1)OC)CCC(C)C
• Canonical SMILES: COCCN(C(=O)CC1(CC(=O)N(C1=O)CCC(C)C)c1ccc(cc1)OC)C(C)C
• InChI: InChI=1S/C24H36N2O5/c1-17(2)11-12-26-22(28)16-24(23(26)29,19-7-9-20(31-6)10-8-19)15-21(27)25(18(3)4)13-14-30-5/h7-10,17-18H,11-16H2,1-6H3
• InChIKey: XZIAIJMFHHJDPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-isopropyl-N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]acetamide
• Synonyms: N-isopropyl-N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-1-(3-methylbutyl)-2,5-dioxo-3-pyrrolidinyl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 3.66
• LOG S: -3.94
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 7
• H Acceptors: 5
• H Donor: 0

JChem

• Molar Refractivity: 119.3269 cm^3
• Polarizability: 46.6174 Å^3
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true
• Acid pKa: 18.607624
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4073997
• LogD (pH = 7.4): 2.4074
• Log P: 2.4074