1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione

C13H14N2O3 — CID 68636226

IUPAC1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H14N2O3/c1-2-14-11(16)8-12(17)15(13(14)18)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyLTFHHCOONCDPHS-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.39
Rot. Bonds3

About 1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione

1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 68636226) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID68636226
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H14N2O3/c1-2-14-11(16)8-12(17)15(13(14)18)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyLTFHHCOONCDPHS-UHFFFAOYSA-N
XLogP1.39
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylic acid
CID 23008694
1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione
CID 6611033
1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 2187415
3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione
CID 142249740
1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane
CID 158655341
1-benzyl-2-methylpyrimidine-4,6-dione
CID 58806166
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
1-benzyl-7-methyl-3H-indol-2-one
CID 100995763
1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione
CID 12864692
1-benzyl-3-hexylidenepyrrolidine-2,5-dione
CID 4898862
3-benzyl-1-cyclopropylimidazolidine-2,4-dione
CID 87022344
3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 103935477

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione (CID 68636226) is 1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione is CCN1C(=O)CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is LTFHHCOONCDPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-14-11(16)8-12(17)15(13(14)18)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of 1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione?
1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 246.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 68636226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).