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

C11H10N2O4 — CID 2179734

IUPAC1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(N2C(=O)CC(=O)NC2=O)cc1
InChIInChI=1S/C11H10N2O4/c1-17-8-4-2-7(3-5-8)13-10(15)6-9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16)
InChIKeyQQZJAOVFTGBDSP-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.67
Rot. Bonds2

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

1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 2179734) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID2179734
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(N2C(=O)CC(=O)NC2=O)cc1
InChIInChI=1S/C11H10N2O4/c1-17-8-4-2-7(3-5-8)13-10(15)6-9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16)
InChIKeyQQZJAOVFTGBDSP-UHFFFAOYSA-N
XLogP0.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.67
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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Related Compounds

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1-Trifluoromethoxyphenyl-3-(1-propionylpiperidine-4-yl)urea
CID 44142782
1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
p-Methoxyphenylurea
CID 74066
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1-(((4-Methoxyphenyl)amino)methyl)pyrrolidine-2,5-dione
CID 748195
N-(4-methoxyphenyl)acrylamide
CID 82197
N,N'-(Di-p-methoxyphenyl)urea
CID 136951
3-(1-Acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea
CID 25093352

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione (CID 2179734) is 1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione is COc1ccc(N2C(=O)CC(=O)NC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is QQZJAOVFTGBDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-17-8-4-2-7(3-5-8)13-10(15)6-9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16).
What are the key properties of 1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione?
1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 234.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2179734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).