N-ethyl-4-methoxy-N-(2-methylprop-2-en-1-yl)-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 408805
• Molecular Formular: C22H34N2O3
• Molecular Mass: 374.51696
• Monoisotopic Mass: 374.25694296
• SMILES: C(=O)(N(CC(=C)C)CC)c1cc(OC2CCN(CC2)C(C)C)c(cc1)OC
• Canonical SMILES: CCN(C(=O)c1ccc(c(c1)OC1CCN(CC1)C(C)C)OC)CC(=C)C
• InChI: InChI=1S/C22H34N2O3/c1-7-23(15-16(2)3)22(25)18-8-9-20(26-6)21(14-18)27-19-10-12-24(13-11-19)17(4)5/h8-9,14,17,19H,2,7,10-13,15H2,1,3-6H3
• InChIKey: XSTGRWOQCBDZMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-methoxy-N-(2-methylprop-2-en-1-yl)-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-ethyl-3-[(1-isopropylpiperidin-4-yl)oxy]-4-methoxy-N-(2-methylprop-2-en-1-yl)benzamide
• Synonyms: N-ethyl-3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxy-N-(2-methyl-2-propen-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.08775744
• LogD (pH = 7.4): 1.5280799
• Log P: 3.087504
• Molar Refractivity: 110.668 cm^3
• Polarizability: 42.692814 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: 2.93
• LOG S: -2.46
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5