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

• ChemBase ID: 473151
• Molecular Formular: C22H32N2O2
• Molecular Mass: 356.50168
• Monoisotopic Mass: 356.24637827
• SMILES: C12(C(=O)N(Cc3cc(OC)ccc3)CCC2)CN(CC1)C1CCCCC1
• Canonical SMILES: COc1cccc(c1)CN1CCCC2(C1=O)CCN(C2)C1CCCCC1
• InChI: InChI=1S/C22H32N2O2/c1-26-20-10-5-7-18(15-20)16-23-13-6-11-22(21(23)25)12-14-24(17-22)19-8-3-2-4-9-19/h5,7,10,15,19H,2-4,6,8-9,11-14,16-17H2,1H3
• InChIKey: XQBQWCGOAKAAKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.012183407
• LogD (pH = 7.4): 0.30742672
• Log P: 3.5081508
• Molar Refractivity: 104.691 cm^3
• Polarizability: 41.018944 Å^3
• Polar Surface Area: 32.78 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: 3.55
• LOG S: -3.01
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3