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2-(5-methoxy-1,2-dimethyl-1H-indole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

ChemBase ID: 370971
Molecular Formular: C21H27N3O3
Molecular Mass: 369.45738
Monoisotopic Mass: 369.20524174
SMILES and InChIs

SMILES:
c1(c(n(c2c1cc(cc2)OC)C)C)C(=O)N1CC2(C(=O)N(CCC2)C)CC1
Canonical SMILES:
COc1ccc2c(c1)c(C(=O)N1CCC3(C1)CCCN(C3=O)C)c(n2C)C
InChI:
InChI=1S/C21H27N3O3/c1-14-18(16-12-15(27-4)6-7-17(16)23(14)3)19(25)24-11-9-21(13-24)8-5-10-22(2)20(21)26/h6-7,12H,5,8-11,13H2,1-4H3
InChIKey:
RGFQLVCJEHWGDR-UHFFFAOYSA-N

Cite this record

CBID:370971 http://www.chembase.cn/molecule-370971.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5-methoxy-1,2-dimethyl-1H-indole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
IUPAC Traditional name
2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
Synonyms
2-[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.5874751  LogD (pH = 7.4) 1.5874754 
Log P 1.5874754  Molar Refractivity 105.1388 cm3
Polarizability 40.733124 Å3 Polar Surface Area 54.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.2  LOG S -2.92 
Polar Surface Area 54.78 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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