N-[3-(4-hydroxyphenyl)propyl]-2-(propan-2-yloxy)propanamide

• ChemBase ID: 477966
• Molecular Formular: C15H23NO3
• Molecular Mass: 265.34802
• Monoisotopic Mass: 265.1677936
• SMILES: C(=O)(C(OC(C)C)C)NCCCc1ccc(cc1)O
• Canonical SMILES: CC(OC(C(=O)NCCCc1ccc(cc1)O)C)C
• InChI: InChI=1S/C15H23NO3/c1-11(2)19-12(3)15(18)16-10-4-5-13-6-8-14(17)9-7-13/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,16,18)
• InChIKey: UHIDBPYBKFMTPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-hydroxyphenyl)propyl]-2-(propan-2-yloxy)propanamide
• IUPAC Traditional name: N-[3-(4-hydroxyphenyl)propyl]-2-isopropoxypropanamide
• Synonyms: N-[3-(4-hydroxyphenyl)propyl]-2-isopropoxypropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.5056095
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5155084
• LogD (pH = 7.4): 2.5121787
• Log P: 2.515551
• Molar Refractivity: 75.4268 cm^3
• Polarizability: 29.404577 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.91
• LOG S: -2.19
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 7