2-[3-(benzyloxy)propyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 551179
• Molecular Formular: C21H32N2O2
• Molecular Mass: 344.49098
• Monoisotopic Mass: 344.24637827
• SMILES: C1(=O)C2(CN(CC2)CCCOCc2ccccc2)CCCN1C(C)C
• Canonical SMILES: CC(N1CCCC2(C1=O)CCN(C2)CCCOCc1ccccc1)C
• InChI: InChI=1S/C21H32N2O2/c1-18(2)23-13-6-10-21(20(23)24)11-14-22(17-21)12-7-15-25-16-19-8-4-3-5-9-19/h3-5,8-9,18H,6-7,10-17H2,1-2H3
• InChIKey: PNWGYTOVSSONGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(benzyloxy)propyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[3-(benzyloxy)propyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[3-(benzyloxy)propyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.81102467
• LogD (pH = 7.4): 0.06203227
• Log P: 2.6529188
• Molar Refractivity: 102.2899 cm^3
• Polarizability: 39.923187 Å^3
• Polar Surface Area: 32.78 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: 3.53
• LOG S: -4.73
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7