1-(methoxymethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclobutane-1-carboxamide

• ChemBase编号: 628186
• 分子式: C18H27NO3
• 平均质量: 305.41188
• 单一同位素质量: 305.19909373
• SMILES: C(=O)(C1(COC)CCC1)N(C(Cc1c(OC)cccc1)C)C
• Canonical SMILES: COCC1(CCC1)C(=O)N(C(Cc1ccccc1OC)C)C
• InChI: InChI=1S/C18H27NO3/c1-14(12-15-8-5-6-9-16(15)22-4)19(2)17(20)18(13-21-3)10-7-11-18/h5-6,8-9,14H,7,10-13H2,1-4H3
• InChIKey: NCHWBZYZBWHFCD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(methoxymethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclobutane-1-carboxamide
• IUPAC传统名: 1-(methoxymethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclobutane-1-carboxamide
• 别名: 1-(methoxymethyl)-N-[2-(2-methoxyphenyl)-1-methylethyl]-N-methylcyclobutanecarboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.8318362
• LogD (pH = 7.4): 2.8318365
• Log P: 2.8318365
• 摩尔折射率: 87.536 cm^3
• 极化性: 34.271725 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.29
• LOG S: -3.38
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 7