8-(2,3-dihydro-1H-indene-5-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 862986
• Molecular Formular: C25H28N2O4
• Molecular Mass: 420.50082
• Monoisotopic Mass: 420.20490739
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1cc3c(cc1)CCC3)CC2)CCOc1ccccc1
• Canonical SMILES: O=C1OC2(CN1CCOc1ccccc1)CCN(CC2)C(=O)c1ccc2c(c1)CCC2
• InChI: InChI=1S/C25H28N2O4/c28-23(21-10-9-19-5-4-6-20(19)17-21)26-13-11-25(12-14-26)18-27(24(29)31-25)15-16-30-22-7-2-1-3-8-22/h1-3,7-10,17H,4-6,11-16,18H2
• InChIKey: RGPDDSUJVJSHFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,3-dihydro-1H-indene-5-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2,3-dihydro-1H-indene-5-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(2,3-dihydro-1H-inden-5-ylcarbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5482085
• LogD (pH = 7.4): 3.5482087
• Log P: 3.5482087
• Molar Refractivity: 117.6297 cm^3
• Polarizability: 45.095703 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.72
• LOG S: -5.44
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5