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

C19H16N2O5 — CID 2293772

IUPAC5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2cccc(OCCOc3ccccc3)c2)C(=O)N1
InChIInChI=1S/C19H16N2O5/c22-17-16(18(23)21-19(24)20-17)12-13-5-4-8-15(11-13)26-10-9-25-14-6-2-1-3-7-14/h1-8,11-12H,9-10H2,(H2,20,21,22,23,24)
InChIKeyYPFCMUIWRNDYLL-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.89
Rot. Bonds6

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

5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2293772) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2293772
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2cccc(OCCOc3ccccc3)c2)C(=O)N1
InChIInChI=1S/C19H16N2O5/c22-17-16(18(23)21-19(24)20-17)12-13-5-4-8-15(11-13)26-10-9-25-14-6-2-1-3-7-14/h1-8,11-12H,9-10H2,(H2,20,21,22,23,24)
InChIKeyYPFCMUIWRNDYLL-UHFFFAOYSA-N
XLogP1.89
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-Benzyloxybenzylbarbituric acid
CID 192294
ethyl [(2-{2-methoxy-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}ethyl)sulfanyl]acetate
CID 2191420
5-(4-((4-methoxyphenoxy)methyl)benzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2278090
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-(4-methylphenoxy)ethoxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2293976
5-[3-allyl-4-(benzyloxy)-5-ethoxybenzylidene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 3411673
5-(4-phenoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 4581326

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione (CID 2293772) is 5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=Cc2cccc(OCCOc3ccccc3)c2)C(=O)N1.
What is the InChIKey of 5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is YPFCMUIWRNDYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c22-17-16(18(23)21-19(24)20-17)12-13-5-4-8-15(11-13)26-10-9-25-14-6-2-1-3-7-14/h1-8,11-12H,9-10H2,(H2,20,21,22,23,24).
What are the key properties of 5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 352.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2293772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).