2-(3-methylbutyl)-8-(morpholine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 441496
• Molecular Formular: C19H33N3O3
• Molecular Mass: 351.48362
• Monoisotopic Mass: 351.25219193
• SMILES: C(=O)(N1CC2(CN(C(=O)CC2)CCC(C)C)CCC1)N1CCOCC1
• Canonical SMILES: CC(CCN1CC2(CCCN(C2)C(=O)N2CCOCC2)CCC1=O)C
• InChI: InChI=1S/C19H33N3O3/c1-16(2)5-9-21-14-19(7-4-17(21)23)6-3-8-22(15-19)18(24)20-10-12-25-13-11-20/h16H,3-15H2,1-2H3
• InChIKey: SOPDFONVUSEAHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylbutyl)-8-(morpholine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(3-methylbutyl)-8-(morpholine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(3-methylbutyl)-8-(morpholin-4-ylcarbonyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9637379
• LogD (pH = 7.4): 0.96373886
• Log P: 0.96373886
• Molar Refractivity: 97.2342 cm^3
• Polarizability: 37.80395 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.92
• LOG S: -3.4
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3