8-(6-methoxyhexanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 362880
• Molecular Formular: C21H30N2O3
• Molecular Mass: 358.4745
• Monoisotopic Mass: 358.22564283
• SMILES: C1(=O)NC2(CC1c1ccccc1)CCN(C(=O)CCCCCOC)CC2
• Canonical SMILES: COCCCCCC(=O)N1CCC2(CC1)CC(C(=O)N2)c1ccccc1
• InChI: InChI=1S/C21H30N2O3/c1-26-15-7-3-6-10-19(24)23-13-11-21(12-14-23)16-18(20(25)22-21)17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3,(H,22,25)
• InChIKey: HVGJUPOHRPFBAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(6-methoxyhexanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(6-methoxyhexanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(6-methoxyhexanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.300402
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5153395
• LogD (pH = 7.4): 1.5153399
• Log P: 1.5153399
• Molar Refractivity: 101.6491 cm^3
• Polarizability: 39.601566 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.99
• LOG S: -2.66
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7