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

• ChemBase ID: 321276
• Molecular Formular: C24H32N2O5
• Molecular Mass: 428.52128
• Monoisotopic Mass: 428.23112213
• SMILES: c1(c(cc(cc1)OC)OC1CCN(C/C(=C/c2occc2)/C)CC1)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1ccc(cc1OC1CCN(CC1)C/C(=C/c1ccco1)/C)OC
• InChI: InChI=1S/C24H32N2O5/c1-18(15-21-5-4-13-30-21)17-26-11-8-19(9-12-26)31-23-16-20(29-3)6-7-22(23)24(27)25-10-14-28-2/h4-7,13,15-16,19H,8-12,14,17H2,1-3H3,(H,25,27)/b18-15+
• InChIKey: MRNUHOFNOTZIOG-OBGWFSINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({1-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]piperidin-4-yl}oxy)-4-methoxy-N-(2-methoxyethyl)benzamide
• IUPAC Traditional name: 2-({1-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]piperidin-4-yl}oxy)-4-methoxy-N-(2-methoxyethyl)benzamide
• Synonyms: 2-({1-[(2E)-3-(2-furyl)-2-methyl-2-propen-1-yl]-4-piperidinyl}oxy)-4-methoxy-N-(2-methoxyethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198495
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.14527225
• LogD (pH = 7.4): 1.8573833
• Log P: 2.3500469
• Molar Refractivity: 121.0582 cm^3
• Polarizability: 46.24514 Å^3
• Polar Surface Area: 73.17 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.92
• LOG S: -4.34
• Polar Surface Area: 73.17 Å^2
• Rotatable Bonds: 8