N-(4-aminophenyl)-2-(4-methoxyphenoxy)acetamide

• ChemBase ID: 22975
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: C(=O)(Nc1ccc(N)cc1)COc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)OCC(=O)Nc1ccc(cc1)N
• InChI: InChI=1S/C15H16N2O3/c1-19-13-6-8-14(9-7-13)20-10-15(18)17-12-4-2-11(16)3-5-12/h2-9H,10,16H2,1H3,(H,17,18)
• InChIKey: FCADQZORRVYQOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09737109
• PubChem SID: 160986282
• PubChem CID: 16790324

CALCULATED PROPERTIES

• Acid pKa: 12.792632
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7325422
• LogD (pH = 7.4): 1.7411499
• Log P: 1.7412626
• Molar Refractivity: 78.0467 cm^3
• Polarizability: 29.136389 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false