8-(2,2-dimethylbutanoyl)-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 622188
• Molecular Formular: C19H35N3O4
• Molecular Mass: 369.4989
• Monoisotopic Mass: 369.26275662
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)C(CC)(C)C)CC2)CCN(CCOC)C
• Canonical SMILES: COCCN(CCN1CC2(OC1=O)CCN(CC2)C(=O)C(CC)(C)C)C
• InChI: InChI=1S/C19H35N3O4/c1-6-18(2,3)16(23)21-9-7-19(8-10-21)15-22(17(24)26-19)12-11-20(4)13-14-25-5/h6-15H2,1-5H3
• InChIKey: JNVCGTBFCLFEOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,2-dimethylbutanoyl)-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2,2-dimethylbutanoyl)-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(2,2-dimethylbutanoyl)-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2997599
• LogD (pH = 7.4): 0.47213566
• Log P: 1.2580733
• Molar Refractivity: 100.8918 cm^3
• Polarizability: 39.621037 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.06
• LOG S: -2.8
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 8