5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione

C17H14N2O4 — CID 118199478

IUPAC5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(O)(Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H14N2O4/c20-14-17(23,11-12-7-3-1-4-8-12)15(21)19(16(22)18-14)13-9-5-2-6-10-13/h1-10,23H,11H2,(H,18,20,22)
InChIKeyZHVKZEBCANTGNF-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.24
Rot. Bonds3

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

5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 118199478) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID118199478
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(O)(Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H14N2O4/c20-14-17(23,11-12-7-3-1-4-8-12)15(21)19(16(22)18-14)13-9-5-2-6-10-13/h1-10,23H,11H2,(H,18,20,22)
InChIKeyZHVKZEBCANTGNF-UHFFFAOYSA-N
XLogP1.24
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-benzyl-5-hydroxy-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-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione (CID 118199478) is 5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(O)(Cc2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ZHVKZEBCANTGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-14-17(23,11-12-7-3-1-4-8-12)15(21)19(16(22)18-14)13-9-5-2-6-10-13/h1-10,23H,11H2,(H,18,20,22).
What are the key properties of 5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione?
5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 310.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 118199478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).