N-[(4-methoxyphenyl)methyl]-N-{4-methyl-3-[4-(propan-2-yloxy)phenyl]pentyl}propanamide

• ChemBase编号: 194072
• 分子式: C26H37NO3
• 平均质量: 411.57688
• 单一同位素质量: 411.27734405
• SMILES: N(C(=O)CC)(CCC(c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(cc1)OC
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)OC)CCC(c1ccc(cc1)OC(C)C)C(C)C
• InChI: InChI=1S/C26H37NO3/c1-7-26(28)27(18-21-8-12-23(29-6)13-9-21)17-16-25(19(2)3)22-10-14-24(15-11-22)30-20(4)5/h8-15,19-20,25H,7,16-18H2,1-6H3
• InChIKey: COVJIFILRBKASE-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164249982
• PubChem CID: 3743364

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.7764225
• LogD (pH = 7.4): 5.776423
• Log P: 5.776423
• 摩尔折射率: 123.2594 cm^3
• 极化性: 48.279278 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 11
• 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