(5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione

C22H22N2O5 — CID 58957349

IUPAC(5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione
SMILESCCOc1ccc(C/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1
InChIInChI=1S/C22H22N2O5/c1-3-28-17-10-5-15(6-11-17)7-14-19-20(25)23-22(27)24(21(19)26)16-8-12-18(13-9-16)29-4-2/h5-6,8-14H,3-4,7H2,1-2H3,(H,23,25,27)/b19-14-
InChIKeyWFOFVJGEAWDSNA-RGEXLXHISA-N
MW394.43 g/mol
LogP3.24
Rot. Bonds7

About (5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione

(5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 58957349) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is (5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione
PubChem CID58957349
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name(5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione
SMILESCCOc1ccc(C/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1
InChIInChI=1S/C22H22N2O5/c1-3-28-17-10-5-15(6-11-17)7-14-19-20(25)23-22(27)24(21(19)26)16-8-12-18(13-9-16)29-4-2/h5-6,8-14H,3-4,7H2,1-2H3,(H,23,25,27)/b19-14-
InChIKeyWFOFVJGEAWDSNA-RGEXLXHISA-N
XLogP3.24
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', '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

(5E)-1-(4-chlorophenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1363676
5-[(4-ethoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
CID 1359018
(5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 21374294
1-(4-ethoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1356457
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 2288282
1-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1375932
(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 2281301
(5E)-5-[[3,5-dibromo-4-(2-methylpropoxy)phenyl]methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 126054123
(5E)-1-(4-ethoxyphenyl)-5-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50856201
(5E)-5-[(3,4-diethoxy-5-prop-2-enylphenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 126077170
(5E)-1-(4-ethoxyphenyl)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2294889
(5E)-5-[(2-bromo-5-ethoxy-4-propoxyphenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 126358075

Frequently Asked Questions

What is the IUPAC name of (5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione (CID 58957349) is (5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione is CCOc1ccc(C/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1.
What is the InChIKey of (5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is WFOFVJGEAWDSNA-RGEXLXHISA-N. The full InChI is InChI=1S/C22H22N2O5/c1-3-28-17-10-5-15(6-11-17)7-14-19-20(25)23-22(27)24(21(19)26)16-8-12-18(13-9-16)29-4-2/h5-6,8-14H,3-4,7H2,1-2H3,(H,23,25,27)/b19-14-.
What are the key properties of (5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione?
(5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 394.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 58957349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).