N-(4-acetamidophenyl)-2-(ethylamino)acetamide hydrochloride

• ChemBase ID: 232579
• Molecular Formular: C12H18ClN3O2
• Molecular Mass: 271.74322
• Monoisotopic Mass: 271.10875451
• SMILES: C(=O)(Nc1ccc(NC(=O)C)cc1)CNCC.Cl
• Canonical SMILES: CCNCC(=O)Nc1ccc(cc1)NC(=O)C.Cl
• InChI: InChI=1S/C12H17N3O2.ClH/c1-3-13-8-12(17)15-11-6-4-10(5-7-11)14-9(2)16;/h4-7,13H,3,8H2,1-2H3,(H,14,16)(H,15,17);1H
• InChIKey: PEZUXWDZJHOKKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetamidophenyl)-2-(ethylamino)acetamide hydrochloride
• IUPAC Traditional name: N-(4-acetamidophenyl)-2-(ethylamino)acetamide hydrochloride
• Synonyms: N-[4-(acetylamino)phenyl]-2-(ethylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD08448132
• PubChem SID: 164288489
• PubChem CID: 42913517

CALCULATED PROPERTIES

• Acid pKa: 13.571194
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.5274532
• LogD (pH = 7.4): -0.87230515
• Log P: 0.31392506
• Molar Refractivity: 68.6669 cm^3
• Polarizability: 25.299065 Å^3
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.139

Product Information

• Purity: 95%
• Salt Data: HCl