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

• ChemBase ID: 693696
• Molecular Formular: C23H32N2O3
• Molecular Mass: 384.51178
• Monoisotopic Mass: 384.24129289
• SMILES: C12(C(=O)N(Cc3cc(OC)ccc3)CCC2)CN(C(=O)C2CCCCC2)CC1
• Canonical SMILES: COc1cccc(c1)CN1CCCC2(C1=O)CCN(C2)C(=O)C1CCCCC1
• InChI: InChI=1S/C23H32N2O3/c1-28-20-10-5-7-18(15-20)16-24-13-6-11-23(22(24)27)12-14-25(17-23)21(26)19-8-3-2-4-9-19/h5,7,10,15,19H,2-4,6,8-9,11-14,16-17H2,1H3
• InChIKey: JBFFLCIXWVFVRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0492754
• LogD (pH = 7.4): 3.0492768
• Log P: 3.0492768
• Molar Refractivity: 109.1502 cm^3
• Polarizability: 42.538456 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: 2.6
• LOG S: -3.38
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3