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

• ChemBase ID: 55987
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: N(c1c(cc(cc1)OCC)N)C(=O)C
• Canonical SMILES: CCOc1ccc(c(c1)N)NC(=O)C
• InChI: InChI=1S/C10H14N2O2/c1-3-14-8-4-5-10(9(11)6-8)12-7(2)13/h4-6H,3,11H2,1-2H3,(H,12,13)
• InChIKey: PTNZBDTVFQBGST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-4-ethoxyphenyl)acetamide
• IUPAC Traditional name: N-(2-amino-4-ethoxyphenyl)acetamide
• Synonyms: N-(2-Amino-4-ethoxyphenyl)acetamide

Database IDs

• CAS Number: 67169-91-9
• MDL Number: MFCD00629011
• PubChem SID: 162060750
• PubChem CID: 105400

CALCULATED PROPERTIES

• Acid pKa: 14.74601
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5800232
• LogD (pH = 7.4): 0.5811525
• Log P: 0.5811669
• Molar Refractivity: 56.8332 cm^3
• Polarizability: 20.711971 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false