8-[(2-aminopyridin-3-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 713613
• Molecular Formular: C19H30N4O2
• Molecular Mass: 346.4671
• Monoisotopic Mass: 346.23687622
• SMILES: C1(=O)N(CC2(O1)CCN(Cc1c(nccc1)N)CC2)CC(CC)CC
• Canonical SMILES: CCC(CN1CC2(OC1=O)CCN(CC2)Cc1cccnc1N)CC
• InChI: InChI=1S/C19H30N4O2/c1-3-15(4-2)12-23-14-19(25-18(23)24)7-10-22(11-8-19)13-16-6-5-9-21-17(16)20/h5-6,9,15H,3-4,7-8,10-14H2,1-2H3,(H2,20,21)
• InChIKey: HADCSHJXHHKPHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2-aminopyridin-3-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[(2-aminopyridin-3-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(2-aminopyridin-3-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.1537378
• LogD (pH = 7.4): 1.6316305
• Log P: 2.2211776
• Molar Refractivity: 99.6704 cm^3
• Polarizability: 38.319183 Å^3
• Polar Surface Area: 71.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.86
• LOG S: -3.16
• Polar Surface Area: 71.69 Å^2
• Rotatable Bonds: 6