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methyl 1-(2-methoxyethoxy)-8-[(2-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

ChemBase ID: 320148
Molecular Formular: C21H30N2O6
Molecular Mass: 406.4727
Monoisotopic Mass: 406.21038669
SMILES and InChIs

SMILES:
C12(C(CC(=O)N1OCCOC)C(=O)OC)CCN(Cc1c(OC)cccc1)CC2
Canonical SMILES:
COCCON1C(=O)CC(C21CCN(CC2)Cc1ccccc1OC)C(=O)OC
InChI:
InChI=1S/C21H30N2O6/c1-26-12-13-29-23-19(24)14-17(20(25)28-3)21(23)8-10-22(11-9-21)15-16-6-4-5-7-18(16)27-2/h4-7,17H,8-15H2,1-3H3
InChIKey:
XWNSNUIGCOLYRA-UHFFFAOYSA-N

Cite this record

CBID:320148 http://www.chembase.cn/molecule-320148.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 1-(2-methoxyethoxy)-8-[(2-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
IUPAC Traditional name
methyl 1-(2-methoxyethoxy)-8-[(2-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
Synonyms
methyl 8-(2-methoxybenzyl)-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 18.863665  H Acceptors
H Donor LogD (pH = 5.5) -1.6753002 
LogD (pH = 7.4) 0.08865193  Log P 0.7901169 
Molar Refractivity 106.8198 cm3 Polarizability 42.101116 Å3
Polar Surface Area 77.54 Å2
Rotatable Bonds H Acceptors
H Donor Log P 1.1 
LOG S -3.1  Polar Surface Area 77.54 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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