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

C18H16N2O3 — CID 121307587

IUPAC5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC1(Cc2ccccc2)C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H16N2O3/c1-18(12-13-8-4-2-5-9-13)15(21)19-17(23)20(16(18)22)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,19,21,23)
InChIKeyAPPXRHNUQSGGJU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.52
Rot. Bonds3

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

5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 121307587) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID121307587
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC1(Cc2ccccc2)C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H16N2O3/c1-18(12-13-8-4-2-5-9-13)15(21)19-17(23)20(16(18)22)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,19,21,23)
InChIKeyAPPXRHNUQSGGJU-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.52
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 5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione (CID 121307587) is 5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione is CC1(Cc2ccccc2)C(=O)NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is APPXRHNUQSGGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-18(12-13-8-4-2-5-9-13)15(21)19-17(23)20(16(18)22)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,19,21,23).
What are the key properties of 5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione?
5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 308.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 121307587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).