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

• ChemBase ID: 35410
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N(c1c(CC)cccc1)C(=O)CNC
• Canonical SMILES: CNCC(=O)Nc1ccccc1CC
• InChI: InChI=1S/C11H16N2O/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)
• InChIKey: DVNOAECEMGEQKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD05273639
• PubChem SID: 160998717
• PubChem CID: 2110923

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false