2-(3-aminophenoxy)-N-phenylacetamide

• ChemBase ID: 260371
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(Nc1ccccc1)COc1cc(N)ccc1
• Canonical SMILES: O=C(Nc1ccccc1)COc1cccc(c1)N
• InChI: InChI=1S/C14H14N2O2/c15-11-5-4-8-13(9-11)18-10-14(17)16-12-6-2-1-3-7-12/h1-9H,10,15H2,(H,16,17)
• InChIKey: UKKALNOCJIYBPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-aminophenoxy)-N-phenylacetamide
• IUPAC Traditional name: 2-(3-aminophenoxy)-N-phenylacetamide
• Synonyms: 2-(3-aminophenoxy)-N-phenylacetamide

Database IDs

• MDL Number: MFCD09812954
• PubChem SID: 164316281
• PubChem CID: 20113729

CALCULATED PROPERTIES

• Acid pKa: 12.578959
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8899539
• LogD (pH = 7.4): 1.8988167
• Log P: 1.8989338
• Molar Refractivity: 71.5835 cm^3
• Polarizability: 26.617994 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): 1.62

Product Information

• Purity: 95%