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

• ChemBase ID: 232845
• Molecular Formular: C11H17ClN2O2
• Molecular Mass: 244.71788
• Monoisotopic Mass: 244.09785547
• SMILES: N(c1c(OC)cccc1)C(=O)CNCC.Cl
• Canonical SMILES: CCNCC(=O)Nc1ccccc1OC.Cl
• InChI: InChI=1S/C11H16N2O2.ClH/c1-3-12-8-11(14)13-9-6-4-5-7-10(9)15-2;/h4-7,12H,3,8H2,1-2H3,(H,13,14);1H
• InChIKey: AHOPCNJHMWKOFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07286038
• PubChem SID: 164288755
• PubChem CID: 16243076

CALCULATED PROPERTIES

• Acid pKa: 12.021426
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.898064
• LogD (pH = 7.4): -0.23043746
• Log P: 0.9185434
• Molar Refractivity: 60.2671 cm^3
• Polarizability: 22.93441 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.606

Product Information

• Purity: 95%
• Salt Data: HCl