2-amino-3-phenyl-N,N-bis(prop-2-en-1-yl)propanamide hydrochloride

• ChemBase ID: 48880
• Molecular Formular: C15H21ClN2O
• Molecular Mass: 280.79304
• Monoisotopic Mass: 280.13424098
• SMILES: C(=O)(C(Cc1ccccc1)N)N(CC=C)CC=C.Cl
• Canonical SMILES: C=CCN(C(=O)C(Cc1ccccc1)N)CC=C.Cl
• InChI: InChI=1S/C15H20N2O.ClH/c1-3-10-17(11-4-2)15(18)14(16)12-13-8-6-5-7-9-13;/h3-9,14H,1-2,10-12,16H2;1H
• InChIKey: CZVXCKKVJBOBLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-phenyl-N,N-bis(prop-2-en-1-yl)propanamide hydrochloride
• IUPAC Traditional name: 2-amino-3-phenyl-N,N-bis(prop-2-en-1-yl)propanamide hydrochloride
• Synonyms: N,N-Diallyl-2-amino-3-phenylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562128
• PubChem SID: 162053643
• PubChem CID: 56831876

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.21048062
• LogD (pH = 7.4): 1.4835232
• Log P: 2.180524
• Molar Refractivity: 75.0573 cm^3
• Polarizability: 29.183867 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false