N-[1-(4-hydroxyphenyl)propyl]-3-methoxy-2,2-dimethylpropanamide

• ChemBase ID: 779083
• Molecular Formular: C15H23NO3
• Molecular Mass: 265.34802
• Monoisotopic Mass: 265.1677936
• SMILES: C(=O)(C(COC)(C)C)NC(c1ccc(cc1)O)CC
• Canonical SMILES: CCC(c1ccc(cc1)O)NC(=O)C(COC)(C)C
• InChI: InChI=1S/C15H23NO3/c1-5-13(11-6-8-12(17)9-7-11)16-14(18)15(2,3)10-19-4/h6-9,13,17H,5,10H2,1-4H3,(H,16,18)
• InChIKey: AOIHUERIWFIYOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-hydroxyphenyl)propyl]-3-methoxy-2,2-dimethylpropanamide
• IUPAC Traditional name: N-[1-(4-hydroxyphenyl)propyl]-3-methoxy-2,2-dimethylpropanamide
• Synonyms: N-[1-(4-hydroxyphenyl)propyl]-3-methoxy-2,2-dimethylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.485474
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.71524
• LogD (pH = 7.4): 2.711753
• Log P: 2.7152848
• Molar Refractivity: 75.1272 cm^3
• Polarizability: 29.401917 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.59
• LOG S: -1.91
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6