N-{3-[3-(2-methoxyphenoxy)propyl]phenyl}acetamide

• ChemBase ID: 441724
• Molecular Formular: C18H21NO3
• Molecular Mass: 299.36424
• Monoisotopic Mass: 299.15214354
• SMILES: C(=O)(Nc1cc(ccc1)CCCOc1c(OC)cccc1)C
• Canonical SMILES: COc1ccccc1OCCCc1cccc(c1)NC(=O)C
• InChI: InChI=1S/C18H21NO3/c1-14(20)19-16-9-5-7-15(13-16)8-6-12-22-18-11-4-3-10-17(18)21-2/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,19,20)
• InChIKey: WNNBCZARSPNQRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[3-(2-methoxyphenoxy)propyl]phenyl}acetamide
• IUPAC Traditional name: N-{3-[3-(2-methoxyphenoxy)propyl]phenyl}acetamide
• Synonyms: N-{3-[3-(2-methoxyphenoxy)propyl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.375411
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3533165
• LogD (pH = 7.4): 3.3533165
• Log P: 3.3533165
• Molar Refractivity: 87.816 cm^3
• Polarizability: 33.444313 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.38
• LOG S: -4.27
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 7