3-amino-N-(diphenylmethyl)propanamide hydrochloride

• ChemBase ID: 124873
• Molecular Formular: C16H19ClN2O
• Molecular Mass: 290.78786
• Monoisotopic Mass: 290.11859092
• SMILES: N(C(c1ccccc1)c1ccccc1)C(=O)CCN.Cl
• Canonical SMILES: NCCC(=O)NC(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C16H18N2O.ClH/c17-12-11-15(19)18-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,16H,11-12,17H2,(H,18,19);1H
• InChIKey: UJLGSASBOYODPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-(diphenylmethyl)propanamide hydrochloride
• IUPAC Traditional name: 3-amino-N-(diphenylmethyl)propanamide hydrochloride
• Synonyms: 3-amino-N-benzhydrylpropanamide hydrochloride

Database IDs

• PubChem SID: 162219226
• PubChem CID: 52997050

CALCULATED PROPERTIES

• Acid pKa: 13.640217
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.91911584
• LogD (pH = 7.4): 0.30344808
• Log P: 2.014984
• Molar Refractivity: 76.3171 cm^3
• Polarizability: 30.046682 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl