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

C20H18N2O3 — CID 2263576

IUPAC(5E)-1-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3C)C2=O)c1
InChIInChI=1S/C20H18N2O3/c1-12-8-13(2)10-16(9-12)22-19(24)17(18(23)21-20(22)25)11-15-7-5-4-6-14(15)3/h4-11H,1-3H3,(H,21,23,25)/b17-11+
InChIKeyGFGCMCLDJDIDRK-GZTJUZNOSA-N
MW334.38 g/mol
LogP3.28
Rot. Bonds2

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

(5E)-1-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2263576) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (5E)-1-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-1-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2263576
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(5E)-1-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3C)C2=O)c1
InChIInChI=1S/C20H18N2O3/c1-12-8-13(2)10-16(9-12)22-19(24)17(18(23)21-20(22)25)11-15-7-5-4-6-14(15)3/h4-11H,1-3H3,(H,21,23,25)/b17-11+
InChIKeyGFGCMCLDJDIDRK-GZTJUZNOSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-1-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 2263576) is (5E)-1-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-1-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-1-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3C)C2=O)c1.
What is the InChIKey of (5E)-1-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is GFGCMCLDJDIDRK-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-12-8-13(2)10-16(9-12)22-19(24)17(18(23)21-20(22)25)11-15-7-5-4-6-14(15)3/h4-11H,1-3H3,(H,21,23,25)/b17-11+.
What are the key properties of (5E)-1-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
(5E)-1-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 334.38 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-(3,5-dimethylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2263576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).