8-(3-ethoxypropanoyl)-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 731708
• Molecular Formular: C21H30N2O4
• Molecular Mass: 374.4739
• Monoisotopic Mass: 374.22055745
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)CCOCC)CC2)Cc1cc(OC)ccc1
• Canonical SMILES: CCOCCC(=O)N1CCC2(CC1)CC(=O)N(C2)Cc1cccc(c1)OC
• InChI: InChI=1S/C21H30N2O4/c1-3-27-12-7-19(24)22-10-8-21(9-11-22)14-20(25)23(16-21)15-17-5-4-6-18(13-17)26-2/h4-6,13H,3,7-12,14-16H2,1-2H3
• InChIKey: CWDSVVPAHGUNNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(3-ethoxypropanoyl)-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(3-ethoxypropanoyl)-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(3-ethoxypropanoyl)-2-(3-methoxybenzyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.84353924
• LogD (pH = 7.4): 0.8435395
• Log P: 0.8435395
• Molar Refractivity: 103.7976 cm^3
• Polarizability: 40.287964 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: 1.81
• LOG S: -3.48
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7