1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione

C15H24N2O4 — CID 115949002

IUPAC1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C2CCOC(C)(C)C2)C1=O
InChIInChI=1S/C15H24N2O4/c1-5-15(6-2)11(18)16-13(20)17(12(15)19)10-7-8-21-14(3,4)9-10/h10H,5-9H2,1-4H3,(H,16,18,20)
InChIKeyFEXHNBFLXASEEH-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.83
Rot. Bonds3

About 1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione

1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 115949002) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID115949002
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C2CCOC(C)(C)C2)C1=O
InChIInChI=1S/C15H24N2O4/c1-5-15(6-2)11(18)16-13(20)17(12(15)19)10-7-8-21-14(3,4)9-10/h10H,5-9H2,1-4H3,(H,16,18,20)
InChIKeyFEXHNBFLXASEEH-UHFFFAOYSA-N
XLogP1.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946696
5,5-diethyl-1-(4-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 115947509
1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione
CID 83039336
1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione
CID 83039442
3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83259569
1-(2,3-dimethylcyclohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115945906
1-(2,2-dimethyloxan-4-yl)propan-1-one
CID 3342537
3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one
CID 83259851
2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one
CID 83260627
1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115948579
3-butan-2-yl-1-(2,2-dimethyloxan-4-yl)-1,4-diazepane-2,5-dione
CID 83036095
3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
CID 83028716

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 115949002) is 1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(C2CCOC(C)(C)C2)C1=O.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is FEXHNBFLXASEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-15(6-2)11(18)16-13(20)17(12(15)19)10-7-8-21-14(3,4)9-10/h10H,5-9H2,1-4H3,(H,16,18,20).
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 296.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115949002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).