2-amino-N-(3-ethoxypropyl)-3-phenylpropanamide hydrochloride

• ChemBase ID: 49806
• Molecular Formular: C14H23ClN2O2
• Molecular Mass: 286.79762
• Monoisotopic Mass: 286.14480567
• SMILES: C(=O)(C(Cc1ccccc1)N)NCCCOCC.Cl
• Canonical SMILES: CCOCCCNC(=O)C(Cc1ccccc1)N.Cl
• InChI: InChI=1S/C14H22N2O2.ClH/c1-2-18-10-6-9-16-14(17)13(15)11-12-7-4-3-5-8-12;/h3-5,7-8,13H,2,6,9-11,15H2,1H3,(H,16,17);1H
• InChIKey: QPRFHHUYDAFFFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(3-ethoxypropyl)-3-phenylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(3-ethoxypropyl)-3-phenylpropanamide hydrochloride
• Synonyms: 2-Amino-N-(3-ethoxypropyl)-3-phenylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562695
• PubChem SID: 162054569
• PubChem CID: 56832180

CALCULATED PROPERTIES

• Acid pKa: 15.815671
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5329214
• LogD (pH = 7.4): 0.16084954
• Log P: 0.8641407
• Molar Refractivity: 72.4927 cm^3
• Polarizability: 28.48639 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false