2-phenyl-N-[4-(2,4,5-trimethoxyphenyl)butan-2-yl]acetamide

• ChemBase ID: 184306
• Molecular Formular: C21H27NO4
• Molecular Mass: 357.44338
• Monoisotopic Mass: 357.19400835
• SMILES: c1c(c(cc(c1OC)OC)CCC(NC(=O)Cc1ccccc1)C)OC
• Canonical SMILES: COc1cc(OC)c(cc1CCC(NC(=O)Cc1ccccc1)C)OC
• InChI: InChI=1S/C21H27NO4/c1-15(22-21(23)12-16-8-6-5-7-9-16)10-11-17-13-19(25-3)20(26-4)14-18(17)24-2/h5-9,13-15H,10-12H2,1-4H3,(H,22,23)
• InChIKey: JPKXGULMKBDHIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-N-[4-(2,4,5-trimethoxyphenyl)butan-2-yl]acetamide
• IUPAC Traditional name: 2-phenyl-N-[4-(2,4,5-trimethoxyphenyl)butan-2-yl]acetamide

Database IDs

• PubChem SID: 164240216
• PubChem CID: 3833776

CALCULATED PROPERTIES

• Acid pKa: 15.352846
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.4289918
• LogD (pH = 7.4): 3.4289918
• Log P: 3.4289918
• Molar Refractivity: 101.8615 cm^3
• Polarizability: 39.72928 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds