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

• ChemBase ID: 22816
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: c1(NC(=O)COc2ccccc2)cc(N)ccc1OC
• Canonical SMILES: COc1ccc(cc1NC(=O)COc1ccccc1)N
• InChI: InChI=1S/C15H16N2O3/c1-19-14-8-7-11(16)9-13(14)17-15(18)10-20-12-5-3-2-4-6-12/h2-9H,10,16H2,1H3,(H,17,18)
• InChIKey: DIZYCMDTENCYMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09729658
• PubChem SID: 160986123
• PubChem CID: 16782952

CALCULATED PROPERTIES

• Acid pKa: 11.566123
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6911423
• LogD (pH = 7.4): 1.7405655
• Log P: 1.7412626
• Molar Refractivity: 78.0467 cm^3
• Polarizability: 29.138794 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