N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]propanamide

• ChemBase编号: 190925
• 分子式: C31H39NO5
• 平均质量: 505.64506
• 单一同位素质量: 505.28282335
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)CC)Cc1cc(c(cc1)OC)OC)c1ccc(OC(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(c(c1)OC)OC)CCC(c1ccccc1OC)c1ccc(cc1)OC(C)C
• InChI: InChI=1S/C31H39NO5/c1-7-31(33)32(21-23-12-17-29(35-5)30(20-23)36-6)19-18-26(27-10-8-9-11-28(27)34-4)24-13-15-25(16-14-24)37-22(2)3/h8-17,20,22,26H,7,18-19,21H2,1-6H3
• InChIKey: YXJLWPQBVRXBSQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]propanamide
• IUPAC传统名: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]propanamide

登记号

• PubChem SID: 164246835
• PubChem CID: 5159664

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.863296
• LogD (pH = 7.4): 5.8632965
• Log P: 5.8632965
• 摩尔折射率: 147.1312 cm^3
• 极化性: 57.36858 Å^3
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds