N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)-3-phenylpropanamide

• ChemBase ID: 677215
• Molecular Formular: C20H25NO3
• Molecular Mass: 327.4174
• Monoisotopic Mass: 327.18344367
• SMILES: C(=O)(N(Cc1cc(OCC)ccc1)CCO)CCc1ccccc1
• Canonical SMILES: OCCN(C(=O)CCc1ccccc1)Cc1cccc(c1)OCC
• InChI: InChI=1S/C20H25NO3/c1-2-24-19-10-6-9-18(15-19)16-21(13-14-22)20(23)12-11-17-7-4-3-5-8-17/h3-10,15,22H,2,11-14,16H2,1H3
• InChIKey: HTVLIBKWUSKWEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)-3-phenylpropanamide
• IUPAC Traditional name: N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)-3-phenylpropanamide
• Synonyms: N-(3-ethoxybenzyl)-N-(2-hydroxyethyl)-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.573572
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.92948
• LogD (pH = 7.4): 2.92948
• Log P: 2.92948
• Molar Refractivity: 95.6989 cm^3
• Polarizability: 37.15749 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.26
• LOG S: -4.37
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 9