N-(2,4-dimethoxyphenyl)-3-[3-(3-methoxypropyl)piperidin-1-yl]-3-oxopropanamide

• ChemBase ID: 509115
• Molecular Formular: C20H30N2O5
• Molecular Mass: 378.4626
• Monoisotopic Mass: 378.21547207
• SMILES: C(=O)(N1CC(CCC1)CCCOC)CC(=O)Nc1c(cc(cc1)OC)OC
• Canonical SMILES: COCCCC1CCCN(C1)C(=O)CC(=O)Nc1ccc(cc1OC)OC
• InChI: InChI=1S/C20H30N2O5/c1-25-11-5-7-15-6-4-10-22(14-15)20(24)13-19(23)21-17-9-8-16(26-2)12-18(17)27-3/h8-9,12,15H,4-7,10-11,13-14H2,1-3H3,(H,21,23)
• InChIKey: XHFLCEYUIQTVEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-dimethoxyphenyl)-3-[3-(3-methoxypropyl)piperidin-1-yl]-3-oxopropanamide
• IUPAC Traditional name: N-(2,4-dimethoxyphenyl)-3-[3-(3-methoxypropyl)piperidin-1-yl]-3-oxopropanamide
• Synonyms: N-(2,4-dimethoxyphenyl)-3-[3-(3-methoxypropyl)piperidin-1-yl]-3-oxopropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.4238205
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7391758
• LogD (pH = 7.4): 1.7391719
• Log P: 1.7391758
• Molar Refractivity: 104.3026 cm^3
• Polarizability: 39.86246 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.23
• LOG S: -3.01
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 9