8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C21H26N4O3 — CID 24605748

IUPAC8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(c3ccccc3)=N1)C2=O
InChIInChI=1S/C21H26N4O3/c1-2-15-8-11-21(12-9-15)19(27)24(20(28)22-21)14-18(26)25-13-10-17(23-25)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,22,28)
InChIKeyDGMHRFHMQBMOQB-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.51
Rot. Bonds4

About 8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 24605748) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID24605748
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(c3ccccc3)=N1)C2=O
InChIInChI=1S/C21H26N4O3/c1-2-15-8-11-21(12-9-15)19(27)24(20(28)22-21)14-18(26)25-13-10-17(23-25)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,22,28)
InChIKeyDGMHRFHMQBMOQB-UHFFFAOYSA-N
XLogP2.51
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R,6S)-6-methyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40812194
3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 24608276
3-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120748655
1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 9474385
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103599854
8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55677594
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 86979365
8-ethyl-3-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119544004
3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180920
(2S,3S)-1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114907
N-(2-amino-2-methylpropyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119627267

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 24605748) is 8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(c3ccccc3)=N1)C2=O.
What is the InChIKey of 8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is DGMHRFHMQBMOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-15-8-11-21(12-9-15)19(27)24(20(28)22-21)14-18(26)25-13-10-17(23-25)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,22,28).
What are the key properties of 8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 382.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 24605748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).