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

C18H20N2O3 — CID 4202872

IUPAC1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1ccccc1C=C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H20N2O3/c1-12-7-5-6-8-13(12)11-15-16(21)19-18(23)20(17(15)22)14-9-3-2-4-10-14/h5-8,11,14H,2-4,9-10H2,1H3,(H,19,21,23)
InChIKeyRDIVQJVJYJGZIW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.79
Rot. Bonds2

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

1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 4202872) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID4202872
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1ccccc1C=C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H20N2O3/c1-12-7-5-6-8-13(12)11-15-16(21)19-18(23)20(17(15)22)14-9-3-2-4-10-14/h5-8,11,14H,2-4,9-10H2,1H3,(H,19,21,23)
InChIKeyRDIVQJVJYJGZIW-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.79
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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Related Compounds

5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 3449151
(5Z)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-cyclopentyl-1,3-diazinane-2,4,6-trione
CID 126200774
5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 3314336
1-cyclohexyl-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3309991
(5E)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547700
(5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 882762
1-cyclohexyl-5-[[2,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 4039952
(5E)-1-cyclohexyl-5-[(1-propylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1400750
(5Z)-1-cyclohexyl-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2288276
1-cyclohexyl-5-[(1-ethylpyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 5181074
1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 4315836
(5E)-1-cyclohexyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1380858

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 4202872) is 1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is Cc1ccccc1C=C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is RDIVQJVJYJGZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-7-5-6-8-13(12)11-15-16(21)19-18(23)20(17(15)22)14-9-3-2-4-10-14/h5-8,11,14H,2-4,9-10H2,1H3,(H,19,21,23).
What are the key properties of 1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 312.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 4202872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).