1-(benzyloxy)-8-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 356525
• Molecular Formular: C25H30N2O3
• Molecular Mass: 406.5173
• Monoisotopic Mass: 406.22564283
• SMILES: N1(C2(CCN(CC2)C/C=C/c2c(OC)cccc2)CCC1=O)OCc1ccccc1
• Canonical SMILES: COc1ccccc1/C=C/CN1CCC2(CC1)CCC(=O)N2OCc1ccccc1
• InChI: InChI=1S/C25H30N2O3/c1-29-23-12-6-5-10-22(23)11-7-17-26-18-15-25(16-19-26)14-13-24(28)27(25)30-20-21-8-3-2-4-9-21/h2-12H,13-20H2,1H3/b11-7+
• InChIKey: WNLZSWCUBPVVPX-YRNVUSSQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-8-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-(benzyloxy)-8-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 1-(benzyloxy)-8-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2419868
• LogD (pH = 7.4): 2.9977543
• Log P: 3.6469352
• Molar Refractivity: 119.8525 cm^3
• Polarizability: 46.3459 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.73
• LOG S: -5.35
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7