2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

C25H33N5O3 — CID 36820556

IUPAC2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccc(-n3cccn3)cc1)C2=O
InChIInChI=1S/C25H33N5O3/c1-24(2,3)19-9-12-25(13-10-19)22(32)29(23(33)28-25)17-21(31)26-15-11-18-5-7-20(8-6-18)30-16-4-14-27-30/h4-8,14,16,19H,9-13,15,17H2,1-3H3,(H,26,31)(H,28,33)
InChIKeyFOLSMJARRMDBIF-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.06
Rot. Bonds6

About 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (PubChem CID 36820556) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
PubChem CID36820556
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccc(-n3cccn3)cc1)C2=O
InChIInChI=1S/C25H33N5O3/c1-24(2,3)19-9-12-25(13-10-19)22(32)29(23(33)28-25)17-21(31)26-15-11-18-5-7-20(8-6-18)30-16-4-14-27-30/h4-8,14,16,19H,9-13,15,17H2,1-3H3,(H,26,31)(H,28,33)
InChIKeyFOLSMJARRMDBIF-UHFFFAOYSA-N
XLogP3.06
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 55698077
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 36806139
N-[2-(4-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578262
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714303
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 46423191
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
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
2-(2-oxo-1-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 46604095
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119548393
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 55519006
N'-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 36855688
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534048

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-pyrazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (CID 36820556) is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccc(-n3cccn3)cc1)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-pyrazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is FOLSMJARRMDBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-24(2,3)19-9-12-25(13-10-19)22(32)29(23(33)28-25)17-21(31)26-15-11-18-5-7-20(8-6-18)30-16-4-14-27-30/h4-8,14,16,19H,9-13,15,17H2,1-3H3,(H,26,31)(H,28,33).
What are the key properties of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 451.57 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-pyrazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 36820556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).