4-[(1-cyclopentylpiperidin-4-yl)oxy]-N-ethyl-3-methoxy-N-(2-methylprop-2-en-1-yl)benzamide

• ChemBase ID: 497955
• Molecular Formular: C24H36N2O3
• Molecular Mass: 400.55424
• Monoisotopic Mass: 400.27259302
• SMILES: C(=O)(N(CC(=C)C)CC)c1cc(c(OC2CCN(CC2)C2CCCC2)cc1)OC
• Canonical SMILES: CCN(C(=O)c1ccc(c(c1)OC)OC1CCN(CC1)C1CCCC1)CC(=C)C
• InChI: InChI=1S/C24H36N2O3/c1-5-25(17-18(2)3)24(27)19-10-11-22(23(16-19)28-4)29-21-12-14-26(15-13-21)20-8-6-7-9-20/h10-11,16,20-21H,2,5-9,12-15,17H2,1,3-4H3
• InChIKey: MRJGDSQHTINWDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-N-ethyl-3-methoxy-N-(2-methylprop-2-en-1-yl)benzamide
• IUPAC Traditional name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-N-ethyl-3-methoxy-N-(2-methylprop-2-en-1-yl)benzamide
• Synonyms: 4-[(1-cyclopentyl-4-piperidinyl)oxy]-N-ethyl-3-methoxy-N-(2-methyl-2-propen-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.30616218
• LogD (pH = 7.4): 1.6534327
• Log P: 3.6688228
• Molar Refractivity: 117.9138 cm^3
• Polarizability: 45.647816 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.48
• LOG S: -4.0
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6