N-[3-(ethylamino)-4-methylphenyl]acetamide

• ChemBase ID: 80088
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N(c1ccc(c(c1)NCC)C)C(=O)C
• Canonical SMILES: CCNc1cc(ccc1C)NC(=O)C
• InChI: InChI=1S/C11H16N2O/c1-4-12-11-7-10(13-9(3)14)6-5-8(11)2/h5-7,12H,4H2,1-3H3,(H,13,14)
• InChIKey: MRNDZGBBVKUGJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(ethylamino)-4-methylphenyl]acetamide
• IUPAC Traditional name: N-[3-(ethylamino)-4-methylphenyl]acetamide
• Synonyms: N1-[3-(ethylamino)-4-methylphenyl]acetamide

Database IDs

• CAS Number: 63134-04-3
• MDL Number: MFCD00157616
• PubChem SID: 162067208
• PubChem CID: 113042

CALCULATED PROPERTIES

• Acid pKa: 14.671166
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.515372
• LogD (pH = 7.4): 1.5534557
• Log P: 1.5539637
• Molar Refractivity: 60.9046 cm^3
• Polarizability: 21.79322 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%