N-(4-amino-2-ethoxyphenyl)acetamide

• ChemBase ID: 806417
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: CC(=O)Nc1c(cc(cc1)N)OCC
• Canonical SMILES: CCOc1cc(N)ccc1NC(=O)C
• InChI: InChI=1S/C10H14N2O2/c1-3-14-10-6-8(11)4-5-9(10)12-7(2)13/h4-6H,3,11H2,1-2H3,(H,12,13)
• InChIKey: DHGOCWAAYBDAIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-2-ethoxyphenyl)acetamide
• IUPAC Traditional name: N-(4-amino-2-ethoxyphenyl)acetamide
• Synonyms: N-(4-AMINO-2-ETHOXYPHENYL)ACETAMIDE

Database IDs

• CAS Number: 848655-78-7

CALCULATED PROPERTIES

• Acid pKa: 13.517209
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5743679
• LogD (pH = 7.4): 0.5810803
• Log P: 0.5811669
• Molar Refractivity: 56.8332 cm^3
• Polarizability: 20.7124 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%