(5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

C24H25N3O5 — CID 2186757

IUPAC(5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1
InChIInChI=1S/C24H25N3O5/c1-3-32-20-8-6-18(7-9-20)27-23(29)21(22(28)25-24(27)30)15-17-4-5-19(14-16(17)2)26-10-12-31-13-11-26/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,28,30)/b21-15+
InChIKeyNQZVDBLCAOLRGZ-RCCKNPSSSA-N
MW435.48 g/mol
LogP2.90
Rot. Bonds5

About (5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

(5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2186757) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is (5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2186757
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name(5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1
InChIInChI=1S/C24H25N3O5/c1-3-32-20-8-6-18(7-9-20)27-23(29)21(22(28)25-24(27)30)15-17-4-5-19(14-16(17)2)26-10-12-31-13-11-26/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,28,30)/b21-15+
InChIKeyNQZVDBLCAOLRGZ-RCCKNPSSSA-N
XLogP2.90
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 2186757) is (5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1.
What is the InChIKey of (5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is NQZVDBLCAOLRGZ-RCCKNPSSSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-3-32-20-8-6-18(7-9-20)27-23(29)21(22(28)25-24(27)30)15-17-4-5-19(14-16(17)2)26-10-12-31-13-11-26/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,28,30)/b21-15+.
What are the key properties of (5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
(5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 435.48 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-(4-ethoxyphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2186757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).