2-cyclopropanecarbonyl-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 823479
• Molecular Formular: C20H26N2O3
• Molecular Mass: 342.43204
• Monoisotopic Mass: 342.1943427
• SMILES: C12(C(=O)N(Cc3cc(OC)ccc3)CCC2)CN(C(=O)C2CC2)CC1
• Canonical SMILES: COc1cccc(c1)CN1CCCC2(C1=O)CCN(C2)C(=O)C1CC1
• InChI: InChI=1S/C20H26N2O3/c1-25-17-5-2-4-15(12-17)13-21-10-3-8-20(19(21)24)9-11-22(14-20)18(23)16-6-7-16/h2,4-5,12,16H,3,6-11,13-14H2,1H3
• InChIKey: KHHPTDVYCLVPKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropanecarbonyl-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-cyclopropanecarbonyl-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(cyclopropylcarbonyl)-7-(3-methoxybenzyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7155706
• LogD (pH = 7.4): 1.7155709
• Log P: 1.7155709
• Molar Refractivity: 95.3472 cm^3
• Polarizability: 37.019012 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.92
• LOG S: -2.48
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3