3-amino-N-[1-(furan-2-yl)ethyl]-3-phenylpropanamide hydrochloride

• ChemBase ID: 243629
• Molecular Formular: C15H19ClN2O2
• Molecular Mass: 294.77656
• Monoisotopic Mass: 294.11350554
• SMILES: C(=O)(CC(c1ccccc1)N)NC(c1occc1)C.Cl
• Canonical SMILES: O=C(NC(c1ccco1)C)CC(c1ccccc1)N.Cl
• InChI: InChI=1S/C15H18N2O2.ClH/c1-11(14-8-5-9-19-14)17-15(18)10-13(16)12-6-3-2-4-7-12;/h2-9,11,13H,10,16H2,1H3,(H,17,18);1H
• InChIKey: KGTZFDNYNQKJHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-[1-(furan-2-yl)ethyl]-3-phenylpropanamide hydrochloride
• IUPAC Traditional name: 3-amino-N-[1-(furan-2-yl)ethyl]-3-phenylpropanamide hydrochloride
• Synonyms: 3-amino-N-[1-(furan-2-yl)ethyl]-3-phenylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD22578717
• PubChem SID: 164299539
• PubChem CID: 71757299

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.20158224
• Log P: 1.4918056
• Molar Refractivity: 73.1268 cm^3
• Polarizability: 28.721493 Å^3
• Polar Surface Area: 68.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.332487
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3058666

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.551

Product Information

• Purity: 95%