N-(2-methoxyethyl)-1-(methoxymethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide

• ChemBase编号: 435413
• 分子式: C16H24N2O3
• 平均质量: 292.37336
• 单一同位素质量: 292.17869264
• SMILES: C(=O)(C1(COC)CCC1)N(Cc1ccncc1)CCOC
• Canonical SMILES: COCCN(C(=O)C1(COC)CCC1)Cc1ccncc1
• InChI: InChI=1S/C16H24N2O3/c1-20-11-10-18(12-14-4-8-17-9-5-14)15(19)16(13-21-2)6-3-7-16/h4-5,8-9H,3,6-7,10-13H2,1-2H3
• InChIKey: AYQXAXYUJGFYAJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-1-(methoxymethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
• IUPAC传统名: N-(2-methoxyethyl)-1-(methoxymethyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
• 别名: N-(2-methoxyethyl)-1-(methoxymethyl)-N-(pyridin-4-ylmethyl)cyclobutanecarboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.91002005
• LogD (pH = 7.4): 1.018004
• Log P: 1.0196235
• 摩尔折射率: 80.7856 cm^3
• 极化性: 31.554562 Å^3
• 极化表面积: 51.66 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: 0.43
• LOG S: -0.4
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 8