2-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide dihydrochloride

• ChemBase ID: 244197
• Molecular Formular: C15H19Cl2N3O
• Molecular Mass: 328.23686
• Monoisotopic Mass: 327.0905176
• SMILES: C(=O)(N(Cc1cnccc1)C)C(c1ccccc1)N.Cl.Cl
• Canonical SMILES: CN(C(=O)C(c1ccccc1)N)Cc1cccnc1.Cl.Cl
• InChI: InChI=1S/C15H17N3O.2ClH/c1-18(11-12-6-5-9-17-10-12)15(19)14(16)13-7-3-2-4-8-13;;/h2-10,14H,11,16H2,1H3;2*1H
• InChIKey: XEZSTKNTRDDZNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide dihydrochloride
• IUPAC Traditional name: 2-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide dihydrochloride
• Synonyms: 2-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide dihydrochloride

Database IDs

• MDL Number: MFCD22628476
• PubChem SID: 164300107
• PubChem CID: 71757447

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3068173
• LogD (pH = 7.4): 0.43808722
• Log P: 0.9361641
• Molar Refractivity: 74.4326 cm^3
• Polarizability: 29.124481 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.59

Product Information

• Purity: 95%