N-[2-(2-ethoxyphenoxy)ethyl]-2-(4-methoxy-3-methylphenyl)-N-methylacetamide

• ChemBase编号: 731311
• 分子式: C21H27NO4
• 平均质量: 357.44338
• 单一同位素质量: 357.19400835
• SMILES: C(=O)(N(CCOc1c(OCC)cccc1)C)Cc1cc(c(cc1)OC)C
• Canonical SMILES: CCOc1ccccc1OCCN(C(=O)Cc1ccc(c(c1)C)OC)C
• InChI: InChI=1S/C21H27NO4/c1-5-25-19-8-6-7-9-20(19)26-13-12-22(3)21(23)15-17-10-11-18(24-4)16(2)14-17/h6-11,14H,5,12-13,15H2,1-4H3
• InChIKey: QSCJDZVVQSVRKD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(2-ethoxyphenoxy)ethyl]-2-(4-methoxy-3-methylphenyl)-N-methylacetamide
• IUPAC传统名: N-[2-(2-ethoxyphenoxy)ethyl]-2-(4-methoxy-3-methylphenyl)-N-methylacetamide
• 别名: N-[2-(2-ethoxyphenoxy)ethyl]-2-(4-methoxy-3-methylphenyl)-N-methylacetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.45034
• LogD (pH = 7.4): 3.45034
• Log P: 3.45034
• 摩尔折射率: 102.2496 cm^3
• 极化性: 39.65522 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.96
• LOG S: -5.18
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 9