3-ethyl-8-{spiro[2.3]hexane-1-carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 829453
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: C1(C2(C1)CCC2)C(=O)N1CCC2(OC(=O)N(C2)CC)CC1
• Canonical SMILES: CCN1CC2(OC1=O)CCN(CC2)C(=O)C1CC21CCC2
• InChI: InChI=1S/C16H24N2O3/c1-2-17-11-16(21-14(17)20)6-8-18(9-7-16)13(19)12-10-15(12)4-3-5-15/h12H,2-11H2,1H3
• InChIKey: KRYXIRNEUCQQKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-8-{spiro[2.3]hexane-1-carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-ethyl-8-{spiro[2.3]hexane-1-carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-ethyl-8-(spiro[2.3]hex-1-ylcarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7468111
• LogD (pH = 7.4): 0.74681234
• Log P: 0.74681234
• Molar Refractivity: 77.4961 cm^3
• Polarizability: 30.430605 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.82
• LOG S: -2.89
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 2