2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide

C20H25Cl3N4O3 — CID 36715165

IUPAC2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNc1c(Cl)cc(Cl)cc1Cl)C2=O
InChIInChI=1S/C20H25Cl3N4O3/c1-19(2,3)11-4-6-20(7-5-11)17(29)27(18(30)24-20)10-15(28)25-26-16-13(22)8-12(21)9-14(16)23/h8-9,11,26H,4-7,10H2,1-3H3,(H,24,30)(H,25,28)
InChIKeyNZIPQVPSLQPVAN-UHFFFAOYSA-N
MW475.80 g/mol
LogP4.62
Rot. Bonds4

About 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide (PubChem CID 36715165) has the molecular formula C20H25Cl3N4O3 and a molecular weight of 475.80 g/mol. Its IUPAC name is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide.

Molecular Properties

Compound Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
PubChem CID36715165
Molecular FormulaC20H25Cl3N4O3
Molecular Weight475.80 g/mol
Exact Mass474.10
IUPAC Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNc1c(Cl)cc(Cl)cc1Cl)C2=O
InChIInChI=1S/C20H25Cl3N4O3/c1-19(2,3)11-4-6-20(7-5-11)17(29)27(18(30)24-20)10-15(28)25-26-16-13(22)8-12(21)9-14(16)23/h8-9,11,26H,4-7,10H2,1-3H3,(H,24,30)(H,25,28)
InChIKeyNZIPQVPSLQPVAN-UHFFFAOYSA-N
XLogP4.62
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.80
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 36855688
N-(4-chlorophenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2116042
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86951518
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]acetamide
CID 55464093
4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide
CID 46523058
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557707
8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46555321
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide
CID 55374449
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714303
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 31441330
N-(2-aminoethyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide;hydrochloride
CID 119383121
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578366

Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide (CID 36715165) is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide.
What is the SMILES notation for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The canonical SMILES for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide is CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNc1c(Cl)cc(Cl)cc1Cl)C2=O.
What is the InChIKey of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The InChIKey is NZIPQVPSLQPVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl3N4O3/c1-19(2,3)11-4-6-20(7-5-11)17(29)27(18(30)24-20)10-15(28)25-26-16-13(22)8-12(21)9-14(16)23/h8-9,11,26H,4-7,10H2,1-3H3,(H,24,30)(H,25,28).
What are the key properties of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide?
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide has a molecular weight of 475.80 g/mol, XLogP of 4.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide is sourced from PubChem (CID 36715165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).