2-(3,4-dimethoxyphenyl)-N-[5-(2,4-dimethoxyphenyl)pentan-2-yl]acetamide

• ChemBase ID: 188805
• Molecular Formular: C23H31NO5
• Molecular Mass: 401.49594
• Monoisotopic Mass: 401.2202231
• SMILES: C(=O)(NC(CCCc1c(cc(cc1)OC)OC)C)Cc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)OC)CCCC(NC(=O)Cc1ccc(c(c1)OC)OC)C
• InChI: InChI=1S/C23H31NO5/c1-16(7-6-8-18-10-11-19(26-2)15-21(18)28-4)24-23(25)14-17-9-12-20(27-3)22(13-17)29-5/h9-13,15-16H,6-8,14H2,1-5H3,(H,24,25)
• InChIKey: GWKIOWZYRDVTMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)-N-[5-(2,4-dimethoxyphenyl)pentan-2-yl]acetamide
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)-N-[5-(2,4-dimethoxyphenyl)pentan-2-yl]acetamide

Database IDs

• PubChem SID: 164244715
• PubChem CID: 4434126

CALCULATED PROPERTIES

• Acid pKa: 15.174437
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.7158892
• LogD (pH = 7.4): 3.7158892
• Log P: 3.7158892
• Molar Refractivity: 112.9257 cm^3
• Polarizability: 44.01555 Å^3
• Polar Surface Area: 66.02 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds