5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione

C15H24N2O4 — CID 106006095

IUPAC5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(CCC2CCCCO2)C1=O
InChIInChI=1S/C15H24N2O4/c1-3-15(4-2)12(18)16-14(20)17(13(15)19)9-8-11-7-5-6-10-21-11/h11H,3-10H2,1-2H3,(H,16,18,20)
InChIKeyJNNSVHMHVCIVLI-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.83
Rot. Bonds5

About 5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione

5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 106006095) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione
PubChem CID106006095
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(CCC2CCCCO2)C1=O
InChIInChI=1S/C15H24N2O4/c1-3-15(4-2)12(18)16-14(20)17(13(15)19)9-8-11-7-5-6-10-21-11/h11H,3-10H2,1-2H3,(H,16,18,20)
InChIKeyJNNSVHMHVCIVLI-UHFFFAOYSA-N
XLogP1.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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'}

Analyze 5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 106000174
1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115948579
5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione
CID 115947078
3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002969
1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946696
6-ethyl-3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002967
5-methyl-3-[2-(oxolan-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 86806014
(5R)-5-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 99827374
5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 24186
4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione
CID 63789085
1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106003016
3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002965

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione (CID 106006095) is 5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(CCC2CCCCO2)C1=O.
What is the InChIKey of 5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is JNNSVHMHVCIVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-15(4-2)12(18)16-14(20)17(13(15)19)9-8-11-7-5-6-10-21-11/h11H,3-10H2,1-2H3,(H,16,18,20).
What are the key properties of 5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 296.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 106006095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).