N-(5-amino-2-methoxyphenyl)-2-phenylacetamide

• ChemBase ID: 22837
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: c1(NC(=O)Cc2ccccc2)cc(N)ccc1OC
• Canonical SMILES: COc1ccc(cc1NC(=O)Cc1ccccc1)N
• InChI: InChI=1S/C15H16N2O2/c1-19-14-8-7-12(16)10-13(14)17-15(18)9-11-5-3-2-4-6-11/h2-8,10H,9,16H2,1H3,(H,17,18)
• InChIKey: DTWWBFVKIWWBBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)-2-phenylacetamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)-2-phenylacetamide
• Synonyms: N-(5-Amino-2-methoxyphenyl)-2-phenylacetamide

Database IDs

• MDL Number: MFCD09810207
• PubChem SID: 160986144
• PubChem CID: 20118786

CALCULATED PROPERTIES

• Acid pKa: 12.26861
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9939628
• LogD (pH = 7.4): 2.0578144
• Log P: 2.058699
• Molar Refractivity: 76.8065 cm^3
• Polarizability: 28.45799 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false