8-[3-(2-methyl-1H-imidazol-1-yl)propanoyl]-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 320421
• Molecular Formular: C19H30N4O3
• Molecular Mass: 362.4665
• Monoisotopic Mass: 362.23179084
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)CCn1c(ncc1)C)CC2)C(CCC)C
• Canonical SMILES: CCCC(N1CC2(OC1=O)CCN(CC2)C(=O)CCn1ccnc1C)C
• InChI: InChI=1S/C19H30N4O3/c1-4-5-15(2)23-14-19(26-18(23)25)7-11-22(12-8-19)17(24)6-10-21-13-9-20-16(21)3/h9,13,15H,4-8,10-12,14H2,1-3H3
• InChIKey: FPFVBROMSBNLFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[3-(2-methyl-1H-imidazol-1-yl)propanoyl]-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[3-(2-methylimidazol-1-yl)propanoyl]-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-(1-methylbutyl)-8-[3-(2-methyl-1H-imidazol-1-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.089838445
• LogD (pH = 7.4): 0.6789172
• Log P: 0.92263156
• Molar Refractivity: 98.3087 cm^3
• Polarizability: 38.21366 Å^3
• Polar Surface Area: 67.67 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: 1.87
• LOG S: -3.44
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 6