4-methoxy-N-(2-methoxyethyl)-2-{[1-(3-methylbut-2-en-1-yl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 656100
• Molecular Formular: C21H32N2O4
• Molecular Mass: 376.48978
• Monoisotopic Mass: 376.23620751
• SMILES: c1(c(cc(cc1)OC)OC1CCN(CC=C(C)C)CC1)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1ccc(cc1OC1CCN(CC1)CC=C(C)C)OC
• InChI: InChI=1S/C21H32N2O4/c1-16(2)7-11-23-12-8-17(9-13-23)27-20-15-18(26-4)5-6-19(20)21(24)22-10-14-25-3/h5-7,15,17H,8-14H2,1-4H3,(H,22,24)
• InChIKey: RLOWXZVTUYGTCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(2-methoxyethyl)-2-{[1-(3-methylbut-2-en-1-yl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: 4-methoxy-N-(2-methoxyethyl)-2-{[1-(3-methylbut-2-en-1-yl)piperidin-4-yl]oxy}benzamide
• Synonyms: 4-methoxy-N-(2-methoxyethyl)-2-{[1-(3-methyl-2-buten-1-yl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198496
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.7522213
• LogD (pH = 7.4): 1.0080624
• Log P: 2.0732963
• Molar Refractivity: 108.5723 cm^3
• Polarizability: 41.544987 Å^3
• Polar Surface Area: 60.03 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: 2.67
• LOG S: -3.62
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 7