2-(4-acetylphenoxy)-N-methylacetamide

• ChemBase ID: 234581
• Molecular Formular: C11H13NO3
• Molecular Mass: 207.22582
• Monoisotopic Mass: 207.08954328
• SMILES: C(=O)(NC)COc1ccc(C(=O)C)cc1
• Canonical SMILES: CNC(=O)COc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C11H13NO3/c1-8(13)9-3-5-10(6-4-9)15-7-11(14)12-2/h3-6H,7H2,1-2H3,(H,12,14)
• InChIKey: SSTVRFYWPUUMMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-acetylphenoxy)-N-methylacetamide
• IUPAC Traditional name: 2-(4-acetylphenoxy)-N-methylacetamide
• Synonyms: 2-(4-acetylphenoxy)-N-methylacetamide

Database IDs

• MDL Number: MFCD05273645
• PubChem SID: 164290491
• PubChem CID: 2110930

CALCULATED PROPERTIES

• Acid pKa: 14.824416
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.26793882
• LogD (pH = 7.4): 0.26793882
• Log P: 0.26793882
• Molar Refractivity: 55.7275 cm^3
• Polarizability: 21.486149 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.562

Product Information

• Purity: 95%