2-(3-methoxypropyl)-8-(2-phenoxypropanoyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 538494
• Molecular Formular: C21H30N2O4
• Molecular Mass: 374.4739
• Monoisotopic Mass: 374.22055745
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)C(Oc1ccccc1)C)CC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)C(Oc1ccccc1)C
• InChI: InChI=1S/C21H30N2O4/c1-17(27-18-7-4-3-5-8-18)20(25)22-12-9-21(10-13-22)15-19(24)23(16-21)11-6-14-26-2/h3-5,7-8,17H,6,9-16H2,1-2H3
• InChIKey: OOBWJXZLHXZJBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypropyl)-8-(2-phenoxypropanoyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(3-methoxypropyl)-8-(2-phenoxypropanoyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3-methoxypropyl)-8-(2-phenoxypropanoyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.292381
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.95569015
• LogD (pH = 7.4): 0.9556905
• Log P: 0.9556905
• Molar Refractivity: 103.1853 cm^3
• Polarizability: 40.29207 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.62
• LOG S: -3.31
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7