8-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 679551
• Molecular Formular: C19H32N4O
• Molecular Mass: 332.48358
• Monoisotopic Mass: 332.25761166
• SMILES: N1(C(=O)CC2(C1)CCN(CC2)CCCn1c(ncc1)C)CC(C)C
• Canonical SMILES: CC(CN1CC2(CC1=O)CCN(CC2)CCCn1ccnc1C)C
• InChI: InChI=1S/C19H32N4O/c1-16(2)14-23-15-19(13-18(23)24)5-10-21(11-6-19)8-4-9-22-12-7-20-17(22)3/h7,12,16H,4-6,8-11,13-15H2,1-3H3
• InChIKey: ZFDQYMNUPLZVKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[3-(2-methylimidazol-1-yl)propyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-isobutyl-8-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.236951
• LogD (pH = 7.4): -1.1606841
• Log P: 0.9643987
• Molar Refractivity: 97.54 cm^3
• Polarizability: 37.725986 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 0
• Log P: 1.88
• LOG S: -3.23