4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione

C15H24N2O4 — CID 115947658

IUPAC4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCCCCOCCN1C(=O)NC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C15H24N2O4/c1-2-3-10-21-11-9-17-13(19)15(7-5-4-6-8-15)12(18)16-14(17)20/h2-11H2,1H3,(H,16,18,20)
InChIKeyDKWPZDOHIAELNR-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.83
Rot. Bonds6

About 4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione

4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (PubChem CID 115947658) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Molecular Properties

Compound Name4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
PubChem CID115947658
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCCCCOCCN1C(=O)NC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C15H24N2O4/c1-2-3-10-21-11-9-17-13(19)15(7-5-4-6-8-15)12(18)16-14(17)20/h2-11H2,1H3,(H,16,18,20)
InChIKeyDKWPZDOHIAELNR-UHFFFAOYSA-N
XLogP1.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947657
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598571
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 104767891
8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599614
6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64901049
7-(3-pyrrolidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948116
4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356
3-(2-butoxyethyl)imidazolidine-2,4-dione
CID 103935917
7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599604
N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide
CID 106338301

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The IUPAC name of 4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (CID 115947658) is 4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.
What is the SMILES notation for 4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The canonical SMILES for 4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is CCCCOCCN1C(=O)NC(=O)C2(CCCCC2)C1=O.
What is the InChIKey of 4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The InChIKey is DKWPZDOHIAELNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-2-3-10-21-11-9-17-13(19)15(7-5-4-6-8-15)12(18)16-14(17)20/h2-11H2,1H3,(H,16,18,20).
What are the key properties of 4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione has a molecular weight of 296.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is sourced from PubChem (CID 115947658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).