N-cyclopropyl-2-({1-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]piperidin-4-yl}oxy)-4-methoxybenzamide

• ChemBase ID: 389744
• Molecular Formular: C24H30N2O4
• Molecular Mass: 410.506
• Monoisotopic Mass: 410.22055745
• SMILES: c1(C(=O)NC2CC2)c(cc(cc1)OC)OC1CCN(C/C(=C/c2occc2)/C)CC1
• Canonical SMILES: COc1ccc(c(c1)OC1CCN(CC1)C/C(=C/c1ccco1)/C)C(=O)NC1CC1
• InChI: InChI=1S/C24H30N2O4/c1-17(14-21-4-3-13-29-21)16-26-11-9-19(10-12-26)30-23-15-20(28-2)7-8-22(23)24(27)25-18-5-6-18/h3-4,7-8,13-15,18-19H,5-6,9-12,16H2,1-2H3,(H,25,27)/b17-14+
• InChIKey: HEEWGDSGFVXQCQ-SAPNQHFASA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.335772
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6578567
• LogD (pH = 7.4): 2.3699553
• Log P: 2.862587
• Molar Refractivity: 117.2259 cm^3
• Polarizability: 44.817543 Å^3
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.21
• LOG S: -4.9
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 7