1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 523891
• Molecular Formular: C20H30N2O2
• Molecular Mass: 330.4644
• Monoisotopic Mass: 330.23072821
• SMILES: C1(=O)N(C2(CC1c1ccccc1)CCN(CC2)CCOCCC)C
• Canonical SMILES: CCCOCCN1CCC2(CC1)CC(C(=O)N2C)c1ccccc1
• InChI: InChI=1S/C20H30N2O2/c1-3-14-24-15-13-22-11-9-20(10-12-22)16-18(19(23)21(20)2)17-7-5-4-6-8-17/h4-8,18H,3,9-16H2,1-2H3
• InChIKey: RJVCBHBFUUSTLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8870841
• LogD (pH = 7.4): 0.83176327
• Log P: 2.1037867
• Molar Refractivity: 97.4809 cm^3
• Polarizability: 38.081593 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.68
• LOG S: -3.9
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6