7-(2-methoxyethyl)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 461450
• Molecular Formular: C21H30N2O3
• Molecular Mass: 358.4745
• Monoisotopic Mass: 358.22564283
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(CC1)C/C=C/c1c(OC)cccc1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C/C=C/c1ccccc1OC
• InChI: InChI=1S/C21H30N2O3/c1-25-16-15-23-13-6-10-21(20(23)24)11-14-22(17-21)12-5-8-18-7-3-4-9-19(18)26-2/h3-5,7-9H,6,10-17H2,1-2H3/b8-5+
• InChIKey: JOXYYHZBJRLNPC-VMPITWQZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.9219803
• LogD (pH = 7.4): 0.6779332
• Log P: 2.2718205
• Molar Refractivity: 105.0389 cm^3
• Polarizability: 40.430275 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: 2.59
• LOG S: -4.03
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7