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

• ChemBase ID: 864563
• Molecular Formular: C22H32N2O3
• Molecular Mass: 372.50108
• Monoisotopic Mass: 372.24129289
• SMILES: N1(C(=O)CC2(C1)CCN(CC2)C/C=C/c1c(OC)cccc1)CCCOC
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C/C=C/c1ccccc1OC
• InChI: InChI=1S/C22H32N2O3/c1-26-16-6-13-24-18-22(17-21(24)25)10-14-23(15-11-22)12-5-8-19-7-3-4-9-20(19)27-2/h3-5,7-9H,6,10-18H2,1-2H3/b8-5+
• InChIKey: GKTIHMGOWKDCAG-VMPITWQZSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8276196
• LogD (pH = 7.4): 0.94648176
• Log P: 1.8198459
• Molar Refractivity: 109.8525 cm^3
• Polarizability: 42.272896 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: 2.68
• LOG S: -4.21
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 8