1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione

C12H12N2O4 — CID 2049905

IUPAC1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESCCOc1ccccc1N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C12H12N2O4/c1-2-18-9-6-4-3-5-8(9)14-11(16)7-10(15)13-12(14)17/h3-6H,2,7H2,1H3,(H,13,15,17)
InChIKeyYMFBSELPKUMNJN-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.06
Rot. Bonds3

About 1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione

1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 2049905) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID2049905
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESCCOc1ccccc1N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C12H12N2O4/c1-2-18-9-6-4-3-5-8(9)14-11(16)7-10(15)13-12(14)17/h3-6H,2,7H2,1H3,(H,13,15,17)
InChIKeyYMFBSELPKUMNJN-UHFFFAOYSA-N
XLogP1.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione (CID 2049905) is 1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione is CCOc1ccccc1N1C(=O)CC(=O)NC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is YMFBSELPKUMNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-2-18-9-6-4-3-5-8(9)14-11(16)7-10(15)13-12(14)17/h3-6H,2,7H2,1H3,(H,13,15,17).
What are the key properties of 1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione?
1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 248.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2049905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).