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

• ChemBase ID: 23097
• Molecular Formular: C16H18N2O3
• Molecular Mass: 286.32572
• Monoisotopic Mass: 286.13174245
• SMILES: C(=O)(Nc1ccc(N)cc1)C(Oc1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)OC(C(=O)Nc1ccc(cc1)N)C
• InChI: InChI=1S/C16H18N2O3/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h3-11H,17H2,1-2H3,(H,18,19)
• InChIKey: IKQMETUENBGCCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09734359
• PubChem SID: 160986404
• PubChem CID: 16787599

CALCULATED PROPERTIES

• Acid pKa: 13.339773
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.3007948
• LogD (pH = 7.4): 2.3099089
• Log P: 2.310027
• Molar Refractivity: 82.5406 cm^3
• Polarizability: 30.976105 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