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8-cyclopentyl-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

ChemBase ID: 322194
Molecular Formular: C21H37N3O2
Molecular Mass: 363.53738
Monoisotopic Mass: 363.28857744
SMILES and InChIs

SMILES:
N1(C(=O)N(C2(C1=O)CCN(CC2)C1CCCC1)CCC(C)C)CC(C)C
Canonical SMILES:
CC(CCN1C(=O)N(C(=O)C21CCN(CC2)C1CCCC1)CC(C)C)C
InChI:
InChI=1S/C21H37N3O2/c1-16(2)9-12-24-20(26)23(15-17(3)4)19(25)21(24)10-13-22(14-11-21)18-7-5-6-8-18/h16-18H,5-15H2,1-4H3
InChIKey:
RRLZYLXNEUZHOR-UHFFFAOYSA-N

Cite this record

CBID:322194 http://www.chembase.cn/molecule-322194.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-cyclopentyl-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
IUPAC Traditional name
8-cyclopentyl-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Synonyms
8-cyclopentyl-3-isobutyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

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) 0.055873405  LogD (pH = 7.4) 1.2694764 
Log P 3.462008  Molar Refractivity 104.91 cm3
Polarizability 41.163292 Å3 Polar Surface Area 43.86 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.69  LOG S -4.13 
Polar Surface Area 43.86 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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