N-[2-(2-methoxyphenoxy)phenyl]-3-propoxypiperidine-1-carboxamide

• ChemBase ID: 834125
• Molecular Formular: C22H28N2O4
• Molecular Mass: 384.46872
• Monoisotopic Mass: 384.20490739
• SMILES: C(=O)(N1CC(OCCC)CCC1)Nc1c(Oc2c(OC)cccc2)cccc1
• Canonical SMILES: CCCOC1CCCN(C1)C(=O)Nc1ccccc1Oc1ccccc1OC
• InChI: InChI=1S/C22H28N2O4/c1-3-15-27-17-9-8-14-24(16-17)22(25)23-18-10-4-5-11-19(18)28-21-13-7-6-12-20(21)26-2/h4-7,10-13,17H,3,8-9,14-16H2,1-2H3,(H,23,25)
• InChIKey: GRYRKONDDNZWGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-methoxyphenoxy)phenyl]-3-propoxypiperidine-1-carboxamide
• IUPAC Traditional name: N-[2-(2-methoxyphenoxy)phenyl]-3-propoxypiperidine-1-carboxamide
• Synonyms: N-[2-(2-methoxyphenoxy)phenyl]-3-propoxypiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.747761
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.965298
• LogD (pH = 7.4): 3.9652796
• Log P: 3.9652982
• Molar Refractivity: 109.6224 cm^3
• Polarizability: 42.0448 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.72
• LOG S: -4.33
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 7