N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-5-(methoxymethyl)furan-2-carboxamide

• ChemBase编号: 529586
• 分子式: C19H25NO4
• 平均质量: 331.4061
• 单一同位素质量: 331.17835829
• SMILES: c1(C(=O)N(Cc2ccc(cc2)CC)CCOC)oc(cc1)COC
• Canonical SMILES: COCCN(C(=O)c1ccc(o1)COC)Cc1ccc(cc1)CC
• InChI: InChI=1S/C19H25NO4/c1-4-15-5-7-16(8-6-15)13-20(11-12-22-2)19(21)18-10-9-17(24-18)14-23-3/h5-10H,4,11-14H2,1-3H3
• InChIKey: KURVDRMWQPVANC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-5-(methoxymethyl)furan-2-carboxamide
• IUPAC传统名: N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-5-(methoxymethyl)furan-2-carboxamide
• 别名: N-(4-ethylbenzyl)-N-(2-methoxyethyl)-5-(methoxymethyl)-2-furamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.7627504
• LogD (pH = 7.4): 2.7627504
• Log P: 2.7627504
• 摩尔折射率: 94.0636 cm^3
• 极化性: 35.664 Å^3
• 极化表面积: 51.91 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: 4
• 质子供体: 0
• Log P: 2.94
• LOG S: -4.13
• 极化表面积: 51.91 Å^2
• 可自由旋转的化学键: 9