1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione

C9H16N2O4 — CID 174959393

IUPAC1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione
SMILESCCON1C(=O)N(OCC)C(C)(C)C1=O
InChIInChI=1S/C9H16N2O4/c1-5-14-10-7(12)9(3,4)11(8(10)13)15-6-2/h5-6H2,1-4H3
InChIKeyLQXCKCHIERNXBS-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.93
Rot. Bonds4

About 1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione

1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 174959393) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione
PubChem CID174959393
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione
SMILESCCON1C(=O)N(OCC)C(C)(C)C1=O
InChIInChI=1S/C9H16N2O4/c1-5-14-10-7(12)9(3,4)11(8(10)13)15-6-2/h5-6H2,1-4H3
InChIKeyLQXCKCHIERNXBS-UHFFFAOYSA-N
XLogP0.93
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-diethoxy-5,5-dimethylimidazolidine-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

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione (CID 174959393) is 1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione is CCON1C(=O)N(OCC)C(C)(C)C1=O.
What is the InChIKey of 1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is LQXCKCHIERNXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-5-14-10-7(12)9(3,4)11(8(10)13)15-6-2/h5-6H2,1-4H3.
What are the key properties of 1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione?
1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 216.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 174959393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).