2-(4-acetylphenoxy)-N-(3,5-dimethoxyphenyl)acetamide

• ChemBase ID: 231233
• Molecular Formular: C18H19NO5
• Molecular Mass: 329.34716
• Monoisotopic Mass: 329.12632271
• SMILES: c1(NC(=O)COc2ccc(C(=O)C)cc2)cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(NC(=O)COc2ccc(cc2)C(=O)C)cc(c1)OC
• InChI: InChI=1S/C18H19NO5/c1-12(20)13-4-6-15(7-5-13)24-11-18(21)19-14-8-16(22-2)10-17(9-14)23-3/h4-10H,11H2,1-3H3,(H,19,21)
• InChIKey: IJIMDVKRBADQJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-acetylphenoxy)-N-(3,5-dimethoxyphenyl)acetamide
• IUPAC Traditional name: 2-(4-acetylphenoxy)-N-(3,5-dimethoxyphenyl)acetamide
• Synonyms: 2-(4-Acetyl-phenoxy)-N-(3,5-dimethoxy-phenyl)-acetamide

Database IDs

• MDL Number: MFCD03964703
• PubChem SID: 164287143
• PubChem CID: 2384611

CALCULATED PROPERTIES

• Acid pKa: 12.23698
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.9701647
• LogD (pH = 7.4): 1.9701587
• Log P: 1.9701648
• Molar Refractivity: 90.2123 cm^3
• Polarizability: 34.266224 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.517

Product Information

• Purity: 95%