8-[4-(benzyloxy)butanoyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 554941
• Molecular Formular: C23H32N2O3
• Molecular Mass: 384.51178
• Monoisotopic Mass: 384.24129289
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)CCCOCc1ccccc1)CCC2)C1CC1
• Canonical SMILES: O=C(N1CCCC2(C1)CCC(=O)N(C2)C1CC1)CCCOCc1ccccc1
• InChI: InChI=1S/C23H32N2O3/c26-21(8-4-15-28-16-19-6-2-1-3-7-19)24-14-5-12-23(17-24)13-11-22(27)25(18-23)20-9-10-20/h1-3,6-7,20H,4-5,8-18H2
• InChIKey: PANMVTJMHAZPOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[4-(benzyloxy)butanoyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-[4-(benzyloxy)butanoyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[4-(benzyloxy)butanoyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9991039
• LogD (pH = 7.4): 1.9991046
• Log P: 1.9991046
• Molar Refractivity: 108.999 cm^3
• Polarizability: 42.55368 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.69
• LOG S: -4.3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7