3-(methylamino)-N-phenylpropanamide hydrochloride

• ChemBase ID: 124245
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: C(=O)(Nc1ccccc1)CCNC.Cl
• Canonical SMILES: CNCCC(=O)Nc1ccccc1.Cl
• InChI: InChI=1S/C10H14N2O.ClH/c1-11-8-7-10(13)12-9-5-3-2-4-6-9;/h2-6,11H,7-8H2,1H3,(H,12,13);1H
• InChIKey: DAGYFKMARFUJOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methylamino)-N-phenylpropanamide hydrochloride
• IUPAC Traditional name: 3-(methylamino)-N-phenylpropanamide hydrochloride
• Synonyms: 3-(methylamino)-N-phenylpropanamide hydrochloride

Database IDs

• PubChem SID: 162218598
• PubChem CID: 51051961

CALCULATED PROPERTIES

• Log P: 0.95641947
• Molar Refractivity: 53.7547 cm^3
• Polarizability: 20.419458 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.14353
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2327003
• LogD (pH = 7.4): -1.2352154

PROPERTIES

Product Information

• Salt Data: HCl