2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C19H29N5O3 — CID 60519344

IUPAC2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(C)[nH]n1)C2=O
InChIInChI=1S/C19H29N5O3/c1-5-18(3,4)13-6-8-19(9-7-13)16(26)24(17(27)21-19)11-15(25)20-14-10-12(2)22-23-14/h10,13H,5-9,11H2,1-4H3,(H,21,27)(H2,20,22,23,25)
InChIKeyUOFHFSAOOMFNOU-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.57
Rot. Bonds5

About 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 60519344) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID60519344
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(C)[nH]n1)C2=O
InChIInChI=1S/C19H29N5O3/c1-5-18(3,4)13-6-8-19(9-7-13)16(26)24(17(27)21-19)11-15(25)20-14-10-12(2)22-23-14/h10,13H,5-9,11H2,1-4H3,(H,21,27)(H2,20,22,23,25)
InChIKeyUOFHFSAOOMFNOU-UHFFFAOYSA-N
XLogP2.57
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide
CID 132385855
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide
CID 16035512
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-1-N-(5-methyl-1H-pyrazol-3-yl)pyrrolidin-1-ium-1,2-dicarboxamide
CID 87353709
(2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide
CID 88927987
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 141489084
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 45781441
N-(2,5-dimethylpyrazol-3-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46412603
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47038589
4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
CID 47148585
2-cyclohexyl-N-[2-oxo-2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]acetamide
CID 51102399
N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51285282
N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51285334

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 60519344) is 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(C)[nH]n1)C2=O.
What is the InChIKey of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is UOFHFSAOOMFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-5-18(3,4)13-6-8-19(9-7-13)16(26)24(17(27)21-19)11-15(25)20-14-10-12(2)22-23-14/h10,13H,5-9,11H2,1-4H3,(H,21,27)(H2,20,22,23,25).
What are the key properties of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 60519344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).