N-(2-ethylphenyl)-2-(methylamino)acetamide hydrochloride

• ChemBase ID: 234559
• Molecular Formular: C11H17ClN2O
• Molecular Mass: 228.71848
• Monoisotopic Mass: 228.10294085
• SMILES: N(c1c(CC)cccc1)C(=O)CNC.Cl
• Canonical SMILES: CNCC(=O)Nc1ccccc1CC.Cl
• InChI: InChI=1S/C11H16N2O.ClH/c1-3-9-6-4-5-7-10(9)13-11(14)8-12-2;/h4-7,12H,3,8H2,1-2H3,(H,13,14);1H
• InChIKey: VAJCYVIORJKPGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethylphenyl)-2-(methylamino)acetamide hydrochloride
• IUPAC Traditional name: N-(2-ethylphenyl)-2-(methylamino)acetamide hydrochloride
• Synonyms: N-(2-ethylphenyl)-2-(methylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD07287723
• PubChem SID: 164290469
• PubChem CID: 16244916

CALCULATED PROPERTIES

• Acid pKa: 13.583882
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1167502
• LogD (pH = 7.4): 0.561142
• Log P: 1.6773968
• Molar Refractivity: 58.6975 cm^3
• Polarizability: 22.184769 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 206 - 208°C
• Hydrophobicity(logP): 0.749

Product Information

• Purity: 95%
• Salt Data: HCl