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

C16H18N2O3 — CID 13307

IUPAC1-cyclohexyl-5-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/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,17,19,21)
InChIKeyTXYPRTVAKXGQFA-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.18
Rot. Bonds2

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

1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 13307) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID13307
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-cyclohexyl-5-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/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,17,19,21)
InChIKeyTXYPRTVAKXGQFA-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 13307) is 1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(C2CCCCC2)C(=O)C1c1ccccc1.
What is the InChIKey of 1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is TXYPRTVAKXGQFA-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/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,17,19,21).
What are the key properties of 1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 286.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).