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2-[1-ethyl-2,4-dioxo-8-(propan-2-yl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

ChemBase ID: 370073
Molecular Formular: C14H24N4O3
Molecular Mass: 296.36536
Monoisotopic Mass: 296.18484065
SMILES and InChIs

SMILES:
N1(C(=O)N(C2(C1=O)CCN(CC2)C(C)C)CC)CC(=O)N
Canonical SMILES:
CCN1C(=O)N(C(=O)C21CCN(CC2)C(C)C)CC(=O)N
InChI:
InChI=1S/C14H24N4O3/c1-4-18-13(21)17(9-11(15)19)12(20)14(18)5-7-16(8-6-14)10(2)3/h10H,4-9H2,1-3H3,(H2,15,19)
InChIKey:
OZELIEFUOYJQAJ-UHFFFAOYSA-N

Cite this record

CBID:370073 http://www.chembase.cn/molecule-370073.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[1-ethyl-2,4-dioxo-8-(propan-2-yl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
IUPAC Traditional name
2-{1-ethyl-8-isopropyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl}acetamide
Synonyms
2-(1-ethyl-8-isopropyl-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl)acetamide

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)
Acid pKa 15.690109  H Acceptors
H Donor LogD (pH = 5.5) -4.209793 
LogD (pH = 7.4) -2.684422  Log P -0.9466834 
Molar Refractivity 78.1532 cm3 Polarizability 30.27078 Å3
Polar Surface Area 86.95 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.44  LOG S -0.66 
Polar Surface Area 86.95 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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