2-(4-methoxyphenoxy)acetamide

• ChemBase ID: 86870
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: O=C(COc1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)OCC(=O)N
• InChI: InChI=1S/C9H11NO3/c1-12-7-2-4-8(5-3-7)13-6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
• InChIKey: KUPMGNARMIATFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxy)acetamide
• IUPAC Traditional name: 2-(4-methoxyphenoxy)acetamide
• Synonyms: 2-(4-methoxyphenoxy)acetamide

Database IDs

• CAS Number: 30893-64-2
• MDL Number: MFCD00234553
• PubChem SID: 162073986
• PubChem CID: 723234

CALCULATED PROPERTIES

• Acid pKa: 15.251944
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.32894397
• LogD (pH = 7.4): 0.328944
• Log P: 0.32894397
• Molar Refractivity: 46.8912 cm^3
• Polarizability: 18.435667 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true