2-(3-methoxypropyl)-9-(oxan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 698434
• Molecular Formular: C19H34N2O3
• Molecular Mass: 338.48486
• Monoisotopic Mass: 338.25694296
• SMILES: N1(C(=O)CCC2(C1)CCN(CC1OCCCC1)CC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CCN(CC2)CC2CCCCO2)CCC1=O
• InChI: InChI=1S/C19H34N2O3/c1-23-13-4-10-21-16-19(7-6-18(21)22)8-11-20(12-9-19)15-17-5-2-3-14-24-17/h17H,2-16H2,1H3
• InChIKey: KUNDJBKCJAUBNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypropyl)-9-(oxan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(3-methoxypropyl)-9-(oxan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(3-methoxypropyl)-9-(tetrahydro-2H-pyran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3255942
• LogD (pH = 7.4): -0.8180429
• Log P: 0.9508547
• Molar Refractivity: 95.9148 cm^3
• Polarizability: 37.6596 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.32
• LOG S: -2.8
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6