2-butoxy-N-[3-(2-phenylacetamido)phenyl]acetamide

• ChemBase ID: 835375
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: C(=O)(Nc1cc(NC(=O)COCCCC)ccc1)Cc1ccccc1
• Canonical SMILES: CCCCOCC(=O)Nc1cccc(c1)NC(=O)Cc1ccccc1
• InChI: InChI=1S/C20H24N2O3/c1-2-3-12-25-15-20(24)22-18-11-7-10-17(14-18)21-19(23)13-16-8-5-4-6-9-16/h4-11,14H,2-3,12-13,15H2,1H3,(H,21,23)(H,22,24)
• InChIKey: IHTHYZLYAMYLPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butoxy-N-[3-(2-phenylacetamido)phenyl]acetamide
• IUPAC Traditional name: 2-butoxy-N-[3-(2-phenylacetamido)phenyl]acetamide
• Synonyms: 2-butoxy-N-{3-[(phenylacetyl)amino]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.732049
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.4327838
• LogD (pH = 7.4): 3.432782
• Log P: 3.4327838
• Molar Refractivity: 100.8329 cm^3
• Polarizability: 37.736343 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.96
• LOG S: -4.21
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 9