2-(ethylamino)-N-(3-methoxyphenyl)acetamide hydrochloride

• ChemBase ID: 232801
• Molecular Formular: C11H17ClN2O2
• Molecular Mass: 244.71788
• Monoisotopic Mass: 244.09785547
• SMILES: C(=O)(Nc1cc(OC)ccc1)CNCC.Cl
• Canonical SMILES: CCNCC(=O)Nc1cccc(c1)OC.Cl
• InChI: InChI=1S/C11H16N2O2.ClH/c1-3-12-8-11(14)13-9-5-4-6-10(7-9)15-2;/h4-7,12H,3,8H2,1-2H3,(H,13,14);1H
• InChIKey: FSJGBUVPANFUQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylamino)-N-(3-methoxyphenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-(ethylamino)-N-(3-methoxyphenyl)acetamide hydrochloride
• Synonyms: 2-(ethylamino)-N-(3-methoxyphenyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD08445316
• PubChem SID: 164288711
• PubChem CID: 17390895

CALCULATED PROPERTIES

• Acid pKa: 13.144718
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9141711
• LogD (pH = 7.4): -0.2544515
• Log P: 0.9185434
• Molar Refractivity: 60.2671 cm^3
• Polarizability: 22.93312 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): 1.196

Product Information

• Purity: 95%
• Salt Data: HCl