5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione

C18H16N2O3 — CID 3026932

IUPAC5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2-c2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C18H16N2O3/c1-2-18(15(21)19-17(23)20-16(18)22)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H2,19,20,21,22,23)
InChIKeyXRMTZWVDILSFFT-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.37
Rot. Bonds3

About 5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione

5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 3026932) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID3026932
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2-c2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C18H16N2O3/c1-2-18(15(21)19-17(23)20-16(18)22)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H2,19,20,21,22,23)
InChIKeyXRMTZWVDILSFFT-UHFFFAOYSA-N
XLogP2.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-5-(2-phenylphenyl)-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

1,4-dioxane;bis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042175
tetrakis(1,4-dioxane);tetrakis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042176
5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 11075334
5-ethyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033297
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole
CID 67286022
5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 3026925
benzene;bis(2-benzofuran-1,3-dione);propane
CID 157076955
1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene
CID 158336638
1,1'-biphenyl;5,5-diphenylimidazolidine-2,4-dione
CID 70574558
ethane;(2-phenylphenyl)methanamine
CID 142592948
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
benzene;(2S)-1-cyclohexyl-N-methylpropan-2-amine;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 174876290

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione (CID 3026932) is 5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione is CCC1(c2ccccc2-c2ccccc2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is XRMTZWVDILSFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-18(15(21)19-17(23)20-16(18)22)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione?
5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 308.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(2-phenylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3026932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).