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

C20H24N2O6 — CID 2870590

IUPAC1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1cc(OC)c(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1
InChIInChI=1S/C20H24N2O6/c1-26-13-9-16(27-2)14(17(10-13)28-3)11-15-18(23)21-20(25)22(19(15)24)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,21,23,25)
InChIKeyPBTCECSCOODZIX-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.51
Rot. Bonds5

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

1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2870590) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2870590
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1cc(OC)c(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1
InChIInChI=1S/C20H24N2O6/c1-26-13-9-16(27-2)14(17(10-13)28-3)11-15-18(23)21-20(25)22(19(15)24)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,21,23,25)
InChIKeyPBTCECSCOODZIX-UHFFFAOYSA-N
XLogP2.51
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.51
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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Related Compounds

(5E)-1-cyclohexyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1380858
1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 4315836
1-cyclopentyl-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 78415939
1-cyclohexyl-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6797022
1-cyclohexyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6849225
1-cyclohexyl-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 4034770
1-cyclohexyl-5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 4235137
5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 3928670
(5Z)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-cyclopentyl-1,3-diazinane-2,4,6-trione
CID 126200774
5-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 5217941
(5Z)-1-cyclohexyl-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2288276
1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 4202872

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 2870590) is 1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is COc1cc(OC)c(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1.
What is the InChIKey of 1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is PBTCECSCOODZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-26-13-9-16(27-2)14(17(10-13)28-3)11-15-18(23)21-20(25)22(19(15)24)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,21,23,25).
What are the key properties of 1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 388.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2870590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).