1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

C19H16N2O4 — CID 12938

IUPAC1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C19H16N2O4/c1-2-19(14-11-7-4-8-12-14)16(23)20-18(25)21(17(19)24)15(22)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,20,23,25)
InChIKeyQMOWPJIFTHVQMB-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.25
Rot. Bonds3

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

1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 12938) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID12938
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C19H16N2O4/c1-2-19(14-11-7-4-8-12-14)16(23)20-18(25)21(17(19)24)15(22)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,20,23,25)
InChIKeyQMOWPJIFTHVQMB-UHFFFAOYSA-N
XLogP2.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 12938) is 1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is CCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O.
What is the InChIKey of 1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is QMOWPJIFTHVQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-19(14-11-7-4-8-12-14)16(23)20-18(25)21(17(19)24)15(22)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,20,23,25).
What are the key properties of 1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 336.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).