N-[2-(3-ethoxyphenoxy)ethyl]-N-methyl-2-(2-oxo-1,2-dihydroquinolin-1-yl)acetamide

• ChemBase编号: 618055
• 分子式: C22H24N2O4
• 平均质量: 380.43696
• 单一同位素质量: 380.17360726
• SMILES: n1(c(=O)ccc2c1cccc2)CC(=O)N(CCOc1cc(OCC)ccc1)C
• Canonical SMILES: CCOc1cccc(c1)OCCN(C(=O)Cn1c(=O)ccc2c1cccc2)C
• InChI: InChI=1S/C22H24N2O4/c1-3-27-18-8-6-9-19(15-18)28-14-13-23(2)22(26)16-24-20-10-5-4-7-17(20)11-12-21(24)25/h4-12,15H,3,13-14,16H2,1-2H3
• InChIKey: ZNKXNBSIWHINCA-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 15.283109
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.4227874
• LogD (pH = 7.4): 2.4227874
• Log P: 2.4227874
• 摩尔折射率: 107.8593 cm^3
• 极化性: 41.197342 Å^3
• 极化表面积: 59.08 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: 0
• Log P: 2.97
• LOG S: -4.51
• 极化表面积: 60.77 Å^2
• 可自由旋转的化学键: 8