N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide

• ChemBase编号: 189149
• 分子式: C26H31NO5
• 平均质量: 437.52804
• 单一同位素质量: 437.2202231
• SMILES: C(c1occc1)(c1c(OC)cccc1)CCN(C(=O)CC)Cc1cc(c(cc1)OC)OC
• Canonical SMILES: CCC(=O)N(Cc1ccc(c(c1)OC)OC)CCC(c1ccccc1OC)c1ccco1
• InChI: InChI=1S/C26H31NO5/c1-5-26(28)27(18-19-12-13-24(30-3)25(17-19)31-4)15-14-21(23-11-8-16-32-23)20-9-6-7-10-22(20)29-2/h6-13,16-17,21H,5,14-15,18H2,1-4H3
• InChIKey: UGYXBAYSSOBRDN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
• IUPAC传统名: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide

登记号

• PubChem SID: 164245059
• PubChem CID: 3757241

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.2298775
• LogD (pH = 7.4): 4.229878
• Log P: 4.229878
• 摩尔折射率: 123.9685 cm^3
• 极化性: 48.0263 Å^3
• 极化表面积: 61.14 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

产品相关信息

• 简要说明: Rotamers
• 分类: Derivatives & analogs of Natural Compounds