1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione

C13H22N2O3 — CID 83039447

IUPAC1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
SMILESCCC1(CC)CC(N2CCC(=O)NC2=O)CCO1
InChIInChI=1S/C13H22N2O3/c1-3-13(4-2)9-10(6-8-18-13)15-7-5-11(16)14-12(15)17/h10H,3-9H2,1-2H3,(H,14,16,17)
InChIKeyXKKORXFSTDIKSU-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.67
Rot. Bonds3

About 1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione

1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione (PubChem CID 83039447) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
PubChem CID83039447
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
SMILESCCC1(CC)CC(N2CCC(=O)NC2=O)CCO1
InChIInChI=1S/C13H22N2O3/c1-3-13(4-2)9-10(6-8-18-13)15-7-5-11(16)14-12(15)17/h10H,3-9H2,1-2H3,(H,14,16,17)
InChIKeyXKKORXFSTDIKSU-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione 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

1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione
CID 83028865
1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
CID 83040533
1-(2,2-diethyloxan-4-yl)piperazin-2-one
CID 83040073
6-(2,2-diethyloxan-4-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260104
1-(2,2-diethyloxan-4-yl)piperidin-2-imine
CID 83029021
1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione
CID 79776985
3-butan-2-yl-1-(2,2-dimethyloxan-4-yl)-1,4-diazepane-2,5-dione
CID 83036095
1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione
CID 164651877
3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83260537
3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione
CID 64960815
3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83269868
4-(2,2-diethyloxan-4-yl)-1H-1,2,4-triazole-5-thione
CID 83029328

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione (CID 83039447) is 1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione is CCC1(CC)CC(N2CCC(=O)NC2=O)CCO1.
What is the InChIKey of 1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione?
The InChIKey is XKKORXFSTDIKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-13(4-2)9-10(6-8-18-13)15-7-5-11(16)14-12(15)17/h10H,3-9H2,1-2H3,(H,14,16,17).
What are the key properties of 1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione?
1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 83039447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).