N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylpiperidin-3-yl)propanamide

• ChemBase ID: 552590
• Molecular Formular: C19H30N2O3
• Molecular Mass: 334.4531
• Monoisotopic Mass: 334.22564283
• SMILES: c1(c(cc(cc1)OC)OC)CNC(=O)CCC1CN(CCC1)CC
• Canonical SMILES: CCN1CCCC(C1)CCC(=O)NCc1ccc(cc1OC)OC
• InChI: InChI=1S/C19H30N2O3/c1-4-21-11-5-6-15(14-21)7-10-19(22)20-13-16-8-9-17(23-2)12-18(16)24-3/h8-9,12,15H,4-7,10-11,13-14H2,1-3H3,(H,20,22)
• InChIKey: UVQKLPWJZIBVDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylpiperidin-3-yl)propanamide
• IUPAC Traditional name: N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylpiperidin-3-yl)propanamide
• Synonyms: N-(2,4-dimethoxybenzyl)-3-(1-ethyl-3-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.597366
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1870018
• LogD (pH = 7.4): 0.2035152
• Log P: 2.157076
• Molar Refractivity: 96.4756 cm^3
• Polarizability: 37.62197 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.69
• LOG S: -2.61
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5