N-ethyl-5-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]furan-2-carboxamide

• ChemBase编号: 364924
• 分子式: C18H23NO5
• 平均质量: 333.37892
• 单一同位素质量: 333.15762284
• SMILES: c1(C(=O)N(CCOc2ccc(cc2)OC)CC)oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)C(=O)N(CCOc1ccc(cc1)OC)CC
• InChI: InChI=1S/C18H23NO5/c1-4-19(18(20)17-10-9-16(24-17)13-21-2)11-12-23-15-7-5-14(22-3)6-8-15/h5-10H,4,11-13H2,1-3H3
• InChIKey: BXEUVDWNKDIENC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-5-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]furan-2-carboxamide
• IUPAC传统名: N-ethyl-5-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]furan-2-carboxamide
• 别名: N-ethyl-5-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-2-furamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.9704491
• LogD (pH = 7.4): 1.9704491
• Log P: 1.9704491
• 摩尔折射率: 90.5293 cm^3
• 极化性: 34.58839 Å^3
• 极化表面积: 61.14 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: 5
• 质子供体: 0
• Log P: 2.44
• LOG S: -3.71
• 极化表面积: 61.14 Å^2
• 可自由旋转的化学键: 9