N-(2H3)methyl-3,3-diphenylpropanamide

• ChemBase ID: 173599
• Molecular Formular: C16H17NO
• Molecular Mass: 239.31228
• Monoisotopic Mass: 239.13101417
• SMILES: C(CC(=O)NC)(c1ccccc1)c1ccccc1
• Canonical SMILES: CNC(=O)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H17NO/c1-17-16(18)12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,17,18)
• InChIKey: DBUBYNLFHWVMRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(^2H₃)methyl-3,3-diphenylpropanamide
• IUPAC Traditional name: N-(^2H₃)methyl-3,3-diphenylpropanamide
• Synonyms: N-(Methyl-d3)-β-phenyl-benzenepropanamide; N-Methyl 3,3-Diphenylpropionamide-d3

Database IDs

• PubChem SID: 164229509
• PubChem CID: 46782233

CALCULATED PROPERTIES

• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 16.191187
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.893119
• LogD (pH = 7.4): 2.8931193
• Log P: 2.8931193
• Molar Refractivity: 73.3291 cm^3
• Polarizability: 28.53079 Å^3

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: White Solid

DETAILS

Toronto Research Chemicals - M303707

Intermediate for the synthesis of labelled Lercanidipine HCl