N-ethyl-1-(methoxymethyl)-N-[1-(4-methoxyphenyl)propyl]cyclobutane-1-carboxamide

• ChemBase编号: 638533
• 分子式: C19H29NO3
• 平均质量: 319.43846
• 单一同位素质量: 319.21474379
• SMILES: C(=O)(N(C(c1ccc(cc1)OC)CC)CC)C1(COC)CCC1
• Canonical SMILES: COCC1(CCC1)C(=O)N(C(c1ccc(cc1)OC)CC)CC
• InChI: InChI=1S/C19H29NO3/c1-5-17(15-8-10-16(23-4)11-9-15)20(6-2)18(21)19(14-22-3)12-7-13-19/h8-11,17H,5-7,12-14H2,1-4H3
• InChIKey: SYDAMZSBJPSSQN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-1-(methoxymethyl)-N-[1-(4-methoxyphenyl)propyl]cyclobutane-1-carboxamide
• IUPAC传统名: N-ethyl-1-(methoxymethyl)-N-[1-(4-methoxyphenyl)propyl]cyclobutane-1-carboxamide
• 别名: N-ethyl-1-(methoxymethyl)-N-[1-(4-methoxyphenyl)propyl]cyclobutanecarboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.4225051
• LogD (pH = 7.4): 3.4225056
• Log P: 3.4225056
• 摩尔折射率: 92.0536 cm^3
• 极化性: 36.110897 Å^3
• 极化表面积: 38.77 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: 3
• 质子供体: 0
• Log P: 3.52
• LOG S: -4.54
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 8