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

• ChemBase编号: 191135
• 分子式: C30H37NO4
• 平均质量: 475.61908
• 单一同位素质量: 475.27225867
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)CC)Cc1ccc(cc1)OC)c1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CC)CCC(c1ccccc1OC)c1ccc(cc1)OC(C)C
• InChI: InChI=1S/C30H37NO4/c1-6-30(32)31(21-23-11-15-25(33-4)16-12-23)20-19-27(28-9-7-8-10-29(28)34-5)24-13-17-26(18-14-24)35-22(2)3/h7-18,22,27H,6,19-21H2,1-5H3
• InChIKey: OLDXQXRSEQAGNB-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164247045
• PubChem CID: 2964476

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.0209675
• LogD (pH = 7.4): 6.020968
• Log P: 6.020968
• 摩尔折射率: 140.668 cm^3
• 极化性: 54.861385 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 12
• 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