(2E)-N-ethyl-3-(furan-2-yl)-N-({1-[2-(2-methylphenyl)ethyl]piperidin-4-yl}methyl)prop-2-enamide

• ChemBase ID: 499292
• Molecular Formular: C24H32N2O2
• Molecular Mass: 380.52308
• Monoisotopic Mass: 380.24637827
• SMILES: C(=O)(/C=C/c1occc1)N(CC1CCN(CCc2c(C)cccc2)CC1)CC
• Canonical SMILES: CCN(C(=O)/C=C/c1ccco1)CC1CCN(CC1)CCc1ccccc1C
• InChI: InChI=1S/C24H32N2O2/c1-3-26(24(27)11-10-23-9-6-18-28-23)19-21-12-15-25(16-13-21)17-14-22-8-5-4-7-20(22)2/h4-11,18,21H,3,12-17,19H2,1-2H3/b11-10+
• InChIKey: TWHUQUYBDXPFMO-ZHACJKMWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-N-ethyl-3-(furan-2-yl)-N-({1-[2-(2-methylphenyl)ethyl]piperidin-4-yl}methyl)prop-2-enamide
• IUPAC Traditional name: (2E)-N-ethyl-3-(furan-2-yl)-N-({1-[2-(2-methylphenyl)ethyl]piperidin-4-yl}methyl)prop-2-enamide
• Synonyms: (2E)-N-ethyl-3-(2-furyl)-N-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)acrylamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8878389
• LogD (pH = 7.4): 2.3267467
• Log P: 4.207513
• Molar Refractivity: 116.4929 cm^3
• Polarizability: 44.27031 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.46
• LOG S: -4.58
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 7