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

C14H15IN2O3 — CID 115946633

IUPAC5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(c2ccc(I)cc2)C1=O
InChIInChI=1S/C14H15IN2O3/c1-3-14(4-2)11(18)16-13(20)17(12(14)19)10-7-5-9(15)6-8-10/h5-8H,3-4H2,1-2H3,(H,16,18,20)
InChIKeyOBVQAYVVGYQIOR-UHFFFAOYSA-N
MW386.19 g/mol
LogP2.68
Rot. Bonds3

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

5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 115946633) has the molecular formula C14H15IN2O3 and a molecular weight of 386.19 g/mol. Its IUPAC name is 5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione
PubChem CID115946633
Molecular FormulaC14H15IN2O3
Molecular Weight386.19 g/mol
Exact Mass386.01
IUPAC Name5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(c2ccc(I)cc2)C1=O
InChIInChI=1S/C14H15IN2O3/c1-3-14(4-2)11(18)16-13(20)17(12(14)19)10-7-5-9(15)6-8-10/h5-8H,3-4H2,1-2H3,(H,16,18,20)
InChIKeyOBVQAYVVGYQIOR-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5-diethyl-1-(4-iodophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione (CID 115946633) is 5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(c2ccc(I)cc2)C1=O.
What is the InChIKey of 5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is OBVQAYVVGYQIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O3/c1-3-14(4-2)11(18)16-13(20)17(12(14)19)10-7-5-9(15)6-8-10/h5-8H,3-4H2,1-2H3,(H,16,18,20).
What are the key properties of 5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 386.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115946633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).