N-benzyl-2-(methylamino)acetamide

• ChemBase ID: 122775
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(NCc1ccccc1)CNC
• Canonical SMILES: CNCC(=O)NCc1ccccc1
• InChI: InChI=1S/C10H14N2O/c1-11-8-10(13)12-7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,12,13)
• InChIKey: XJMFSXXPSYKZHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02266689
• PubChem SID: 162217128
• PubChem CID: 9815393

CALCULATED PROPERTIES

• Acid pKa: 15.688159
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.544645
• LogD (pH = 7.4): -0.98795414
• Log P: 0.4263114
• Molar Refractivity: 52.1095 cm^3
• Polarizability: 20.428343 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.617

Product Information

• Purity: 95%