N-benzyl-N-ethyl-2-(methylamino)acetamide hydrochloride

• ChemBase ID: 48783
• Molecular Formular: C12H19ClN2O
• Molecular Mass: 242.74506
• Monoisotopic Mass: 242.11859092
• SMILES: C(=O)(N(Cc1ccccc1)CC)CNC.Cl
• Canonical SMILES: CCN(C(=O)CNC)Cc1ccccc1.Cl
• InChI: InChI=1S/C12H18N2O.ClH/c1-3-14(12(15)9-13-2)10-11-7-5-4-6-8-11;/h4-8,13H,3,9-10H2,1-2H3;1H
• InChIKey: GHHMBNMTTNZDSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-ethyl-2-(methylamino)acetamide hydrochloride
• IUPAC Traditional name: N-benzyl-N-ethyl-2-(methylamino)acetamide hydrochloride
• Synonyms: N-Benzyl-N-ethyl-2-(methylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD13562037
• PubChem SID: 162053546
• PubChem CID: 56831827

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9688883
• LogD (pH = 7.4): -0.41718763
• Log P: 1.0067954
• Molar Refractivity: 61.7548 cm^3
• Polarizability: 24.117332 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false