1-(benzyloxy)-8-[3-(prop-2-en-1-yloxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 405539
• Molecular Formular: C25H28N2O4
• Molecular Mass: 420.50082
• Monoisotopic Mass: 420.20490739
• SMILES: N1(C2(CCN(C(=O)c3cc(OCC=C)ccc3)CC2)CCC1=O)OCc1ccccc1
• Canonical SMILES: C=CCOc1cccc(c1)C(=O)N1CCC2(CC1)CCC(=O)N2OCc1ccccc1
• InChI: InChI=1S/C25H28N2O4/c1-2-17-30-22-10-6-9-21(18-22)24(29)26-15-13-25(14-16-26)12-11-23(28)27(25)31-19-20-7-4-3-5-8-20/h2-10,18H,1,11-17,19H2
• InChIKey: ZLIHVADOKRFQSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-8-[3-(prop-2-en-1-yloxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-(benzyloxy)-8-[3-(prop-2-en-1-yloxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[3-(allyloxy)benzoyl]-1-(benzyloxy)-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1248648
• LogD (pH = 7.4): 3.124865
• Log P: 3.124865
• Molar Refractivity: 119.0257 cm^3
• Polarizability: 45.726917 Å^3
• Polar Surface Area: 59.08 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: 3.06
• LOG S: -4.88
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7