N-[(2,3-dimethoxyphenyl)methyl]-2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetamide

• ChemBase ID: 317956
• Molecular Formular: C25H30N2O6
• Molecular Mass: 454.5155
• Monoisotopic Mass: 454.21038669
• SMILES: C1(=O)C(CC(=O)N1CCCOC)(CC(=O)NCc1c(c(OC)ccc1)OC)c1ccccc1
• Canonical SMILES: COCCCN1C(=O)CC(C1=O)(CC(=O)NCc1cccc(c1OC)OC)c1ccccc1
• InChI: InChI=1S/C25H30N2O6/c1-31-14-8-13-27-22(29)16-25(24(27)30,19-10-5-4-6-11-19)15-21(28)26-17-18-9-7-12-20(32-2)23(18)33-3/h4-7,9-12H,8,13-17H2,1-3H3,(H,26,28)
• InChIKey: XECJSTJJVIAUSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,3-dimethoxyphenyl)methyl]-2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetamide
• IUPAC Traditional name: N-[(2,3-dimethoxyphenyl)methyl]-2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetamide
• Synonyms: N-(2,3-dimethoxybenzyl)-2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenyl-3-pyrrolidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.160487
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.4261842
• LogD (pH = 7.4): 1.4261842
• Log P: 1.4261842
• Molar Refractivity: 122.7818 cm^3
• Polarizability: 47.690815 Å^3
• Polar Surface Area: 94.17 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.04
• LOG S: -4.7
• Polar Surface Area: 94.17 Å^2
• Rotatable Bonds: 8