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

• ChemBase ID: 124247
• Molecular Formular: C11H17ClN2O
• Molecular Mass: 228.71848
• Monoisotopic Mass: 228.10294085
• SMILES: C(=O)(NCCc1ccccc1)CNC.Cl
• Canonical SMILES: CNCC(=O)NCCc1ccccc1.Cl
• InChI: InChI=1S/C11H16N2O.ClH/c1-12-9-11(14)13-8-7-10-5-3-2-4-6-10;/h2-6,12H,7-9H2,1H3,(H,13,14);1H
• InChIKey: SOWLZOOTTCASKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162218600
• PubChem CID: 51051963

CALCULATED PROPERTIES

• Acid pKa: 15.931582
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2562096
• LogD (pH = 7.4): -0.69975364
• Log P: 0.7149726
• Molar Refractivity: 56.8645 cm^3
• Polarizability: 22.274729 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl