N-(3-aminophenyl)-2-(2-methoxyphenoxy)acetamide

• ChemBase ID: 22629
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: C(=O)(Nc1cc(N)ccc1)COc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OCC(=O)Nc1cccc(c1)N
• InChI: InChI=1S/C15H16N2O3/c1-19-13-7-2-3-8-14(13)20-10-15(18)17-12-6-4-5-11(16)9-12/h2-9H,10,16H2,1H3,(H,17,18)
• InChIKey: OJWCDRVVAMTNIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminophenyl)-2-(2-methoxyphenoxy)acetamide
• IUPAC Traditional name: N-(3-aminophenyl)-2-(2-methoxyphenoxy)acetamide
• Synonyms: N-(3-Aminophenyl)-2-(2-methoxyphenoxy)acetamide

Database IDs

• MDL Number: MFCD09735954
• PubChem SID: 160985936
• PubChem CID: 16789192

CALCULATED PROPERTIES

• Acid pKa: 12.55263
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7337713
• LogD (pH = 7.4): 1.7411644
• Log P: 1.7412626
• Molar Refractivity: 78.0467 cm^3
• Polarizability: 29.139915 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 1.189

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%