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

C20H18N2O6 — CID 1353215

IUPAC(5E)-1-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C20H18N2O6/c1-26-15-10-12(11-16(27-2)17(15)28-3)9-14-18(23)21-20(25)22(19(14)24)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,21,23,25)/b14-9+
InChIKeyHWEWRECTQFLKFW-NTEUORMPSA-N
MW382.37 g/mol
LogP2.38
Rot. Bonds5

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

(5E)-1-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 1353215) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is (5E)-1-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-1-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID1353215
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name(5E)-1-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C20H18N2O6/c1-26-15-10-12(11-16(27-2)17(15)28-3)9-14-18(23)21-20(25)22(19(14)24)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,21,23,25)/b14-9+
InChIKeyHWEWRECTQFLKFW-NTEUORMPSA-N
XLogP2.38
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.38
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': '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-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-1-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 1353215) is (5E)-1-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-1-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-1-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OC.
What is the InChIKey of (5E)-1-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is HWEWRECTQFLKFW-NTEUORMPSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-26-15-10-12(11-16(27-2)17(15)28-3)9-14-18(23)21-20(25)22(19(14)24)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,21,23,25)/b14-9+.
What are the key properties of (5E)-1-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
(5E)-1-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 382.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 1353215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).