5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

C20H18N2O6 — CID 2278090

IUPAC5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C20H18N2O6/c1-26-14-6-8-16(9-7-14)28-11-10-27-15-4-2-13(3-5-15)12-17-18(23)21-20(25)22-19(17)24/h2-9,12H,10-11H2,1H3,(H2,21,22,23,24,25)
InChIKeyWIFGHZAYPZRZHP-UHFFFAOYSA-N
MW382.37 g/mol
LogP1.90
Rot. Bonds7

About 5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2278090) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is 5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2278090
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C20H18N2O6/c1-26-14-6-8-16(9-7-14)28-11-10-27-15-4-2-13(3-5-15)12-17-18(23)21-20(25)22-19(17)24/h2-9,12H,10-11H2,1H3,(H2,21,22,23,24,25)
InChIKeyWIFGHZAYPZRZHP-UHFFFAOYSA-N
XLogP1.90
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-(4-Methoxybenzylidene)barbituric acid
CID 39492
(E)-5-(3-(4-methoxyphenyl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 767276
5-{[4-(benzyloxy)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2851123
5-[[4-(4-Cyclohexylbutoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 145432862
5-{3-[2-(3,5-dimethylphenoxy)ethoxy]benzylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2278197
5-{3-[2-(2,4-dimethylphenoxy)ethoxy]benzylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2278522
5-[3-(2-phenoxyethoxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2293772
5-{3-[2-(4-methylphenoxy)ethoxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2293976
5-(4-phenoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 4581326
5-(2-Ethoxyethyl)-5-[4-(4-methylphenoxy)phenoxy]-1,3-diazinane-2,4,6-trione
CID 44445925
5-(2-Ethoxyethyl)-5-[4-[4-(trifluoromethyl)phenoxy]phenoxy]-1,3-diazinane-2,4,6-trione
CID 44445929
4-(4-((2,4,6-trioxotetrahydropyrimidin-5(6H)-ylidene)methyl)benzyloxy)benzonitrile
CID 44580550

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione (CID 2278090) is 5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is COc1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1.
What is the InChIKey of 5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is WIFGHZAYPZRZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-26-14-6-8-16(9-7-14)28-11-10-27-15-4-2-13(3-5-15)12-17-18(23)21-20(25)22-19(17)24/h2-9,12H,10-11H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 382.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2278090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).