2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide

C13H22N4O3 — CID 82098540

IUPAC2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C13H22N4O3/c1-3-17(4-2)10(18)9-16-7-5-13(6-8-16)11(19)14-12(20)15-13/h3-9H2,1-2H3,(H2,14,15,19,20)
InChIKeyQFMVMHRCZVKTHI-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.47
Rot. Bonds4

About 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide

2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide (PubChem CID 82098540) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide
PubChem CID82098540
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C13H22N4O3/c1-3-17(4-2)10(18)9-16-7-5-13(6-8-16)11(19)14-12(20)15-13/h3-9H2,1-2H3,(H2,14,15,19,20)
InChIKeyQFMVMHRCZVKTHI-UHFFFAOYSA-N
XLogP-0.47
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide with MolForge

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Related Compounds

8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098573
N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
CID 78996102
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098568
8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098593
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43397406
1-[2-(diethylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63125037
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657
1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176812
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79814900
N,N-diethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728785

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide (CID 82098540) is 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide?
The InChIKey is QFMVMHRCZVKTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-17(4-2)10(18)9-16-7-5-13(6-8-16)11(19)14-12(20)15-13/h3-9H2,1-2H3,(H2,14,15,19,20).
What are the key properties of 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide?
2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide has a molecular weight of 282.34 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide is sourced from PubChem (CID 82098540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).