5-methoxy-N-[3-(4-methoxyphenoxy)propyl]-N-methylfuran-2-carboxamide

• ChemBase编号: 393868
• 分子式: C17H21NO5
• 平均质量: 319.35234
• 单一同位素质量: 319.14197278
• SMILES: c1(C(=O)N(CCCOc2ccc(cc2)OC)C)oc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)OCCCN(C(=O)c1ccc(o1)OC)C
• InChI: InChI=1S/C17H21NO5/c1-18(17(19)15-9-10-16(21-3)23-15)11-4-12-22-14-7-5-13(20-2)6-8-14/h5-10H,4,11-12H2,1-3H3
• InChIKey: VVZJCIALPYENMW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methoxy-N-[3-(4-methoxyphenoxy)propyl]-N-methylfuran-2-carboxamide
• IUPAC传统名: 5-methoxy-N-[3-(4-methoxyphenoxy)propyl]-N-methylfuran-2-carboxamide
• 别名: 5-methoxy-N-[3-(4-methoxyphenoxy)propyl]-N-methyl-2-furamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.8094428
• LogD (pH = 7.4): 1.8094428
• Log P: 1.8094428
• 摩尔折射率: 84.918 cm^3
• 极化性: 32.74762 Å^3
• 极化表面积: 61.14 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: 5
• 质子供体: 0
• Log P: 2.67
• LOG S: -3.81
• 极化表面积: 61.14 Å^2
• 可自由旋转的化学键: 8