2-(4-acetamidophenoxy)acetamide

• ChemBase ID: 74571
• Molecular Formular: C10H12N2O3
• Molecular Mass: 208.21388
• Monoisotopic Mass: 208.08479225
• SMILES: N(c1ccc(cc1)OCC(=O)N)C(=O)C
• Canonical SMILES: NC(=O)COc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C10H12N2O3/c1-7(13)12-8-2-4-9(5-3-8)15-6-10(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,13)
• InChIKey: CPABIIMOBRMZNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-acetamidophenoxy)acetamide
• IUPAC Traditional name: 2-(4-acetamidophenoxy)acetamide
• Synonyms: N-[4-(carbamoylmethoxy)phenyl]ethanamide

Database IDs

• MDL Number: MFCD00245829
• PubChem SID: 162039490
• PubChem CID: 2737679

CALCULATED PROPERTIES

• Acid pKa: 14.714758
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.27567437
• LogD (pH = 7.4): -0.2756744
• Log P: -0.27567437
• Molar Refractivity: 55.291 cm^3
• Polarizability: 20.813988 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true