3-hexyl-8-(1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 502979
• Molecular Formular: C20H29N3O4
• Molecular Mass: 375.46196
• Monoisotopic Mass: 375.21580642
• SMILES: c1(c(=O)n(ccc1)C)C(=O)N1CCC2(OC(=O)N(C2)CCCCCC)CC1
• Canonical SMILES: CCCCCCN1CC2(OC1=O)CCN(CC2)C(=O)c1cccn(c1=O)C
• InChI: InChI=1S/C20H29N3O4/c1-3-4-5-6-12-23-15-20(27-19(23)26)9-13-22(14-10-20)18(25)16-8-7-11-21(2)17(16)24/h7-8,11H,3-6,9-10,12-15H2,1-2H3
• InChIKey: KRPQIGZBNQXFFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hexyl-8-(1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-hexyl-8-(1-methyl-2-oxopyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-hexyl-8-[(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3064617
• LogD (pH = 7.4): 1.3064623
• Log P: 1.3064623
• Molar Refractivity: 102.974 cm^3
• Polarizability: 39.25165 Å^3
• Polar Surface Area: 70.16 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: 1.77
• LOG S: -3.45
• Polar Surface Area: 71.85 Å^2
• Rotatable Bonds: 6