N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-2-(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide

• ChemBase编号: 710511
• 分子式: C22H26N2O4
• 平均质量: 382.45284
• 单一同位素质量: 382.18925732
• SMILES: C1(=O)Nc2c(C1CC(=O)N(CCOc1c(OCC)cccc1)C)cc(cc2)C
• Canonical SMILES: CCOc1ccccc1OCCN(C(=O)CC1C(=O)Nc2c1cc(C)cc2)C
• InChI: InChI=1S/C22H26N2O4/c1-4-27-19-7-5-6-8-20(19)28-12-11-24(3)21(25)14-17-16-13-15(2)9-10-18(16)23-22(17)26/h5-10,13,17H,4,11-12,14H2,1-3H3,(H,23,26)
• InChIKey: PTSYHEQUHGWHNM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-2-(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
• IUPAC传统名: N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
• 别名: N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-2-(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 12.874638
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.7363806
• LogD (pH = 7.4): 2.7363791
• Log P: 2.7363806
• 摩尔折射率: 108.8466 cm^3
• 极化性: 41.290993 Å^3
• 极化表面积: 67.87 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 3.41
• LOG S: -4.9
• 极化表面积: 67.87 Å^2
• 可自由旋转的化学键: 8