5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione

C16H18N2O3 — CID 30087

IUPAC5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)C1C1CCCCC1
InChIInChI=1S/C16H18N2O3/c19-14-13(11-7-3-1-4-8-11)15(20)18(16(21)17-14)12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H,17,19,21)
InChIKeyVLRRJRNTUYTMNH-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.47
Rot. Bonds2

About 5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione

5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 30087) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID30087
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)C1C1CCCCC1
InChIInChI=1S/C16H18N2O3/c19-14-13(11-7-3-1-4-8-11)15(20)18(16(21)17-14)12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H,17,19,21)
InChIKeyVLRRJRNTUYTMNH-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-cyclohexyl-1-phenyl-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-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione (CID 30087) is 5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2ccccc2)C(=O)C1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VLRRJRNTUYTMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14-13(11-7-3-1-4-8-11)15(20)18(16(21)17-14)12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H,17,19,21).
What are the key properties of 5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione?
5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 286.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 30087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).