N-(4-amino-2-methoxyphenyl)-2-phenylacetamide

• ChemBase ID: 45411
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: C(=O)(Nc1c(cc(N)cc1)OC)Cc1ccccc1
• Canonical SMILES: COc1cc(N)ccc1NC(=O)Cc1ccccc1
• InChI: InChI=1S/C15H16N2O2/c1-19-14-10-12(16)7-8-13(14)17-15(18)9-11-5-3-2-4-6-11/h2-8,10H,9,16H2,1H3,(H,17,18)
• InChIKey: NVSJEEKUFSBCTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-2-methoxyphenyl)-2-phenylacetamide
• IUPAC Traditional name: N-(4-amino-2-methoxyphenyl)-2-phenylacetamide
• Synonyms: N-(4-Amino-2-methoxyphenyl)-2-phenylacetamide

Database IDs

• MDL Number: MFCD03906885
• PubChem SID: 162050174
• PubChem CID: 960663

CALCULATED PROPERTIES

• Polarizability: 28.458187 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.204978
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0525455
• LogD (pH = 7.4): 2.0586202
• Log P: 2.058699
• Molar Refractivity: 76.8065 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false