5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione

C20H28N2O3 — CID 138510220

IUPAC5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione
SMILESC=C/C=C(\C=C)C(=O)CN1C(=O)N(C)CC(C)(C2CCCCC2)C1=O
InChIInChI=1S/C20H28N2O3/c1-5-10-15(6-2)17(23)13-22-18(24)20(3,14-21(4)19(22)25)16-11-8-7-9-12-16/h5-6,10,16H,1-2,7-9,11-14H2,3-4H3/b15-10+
InChIKeyGCDOCIFGLYWJJK-XNTDXEJSSA-N
MW344.46 g/mol
LogP3.33
Rot. Bonds6

About 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione

5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 138510220) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione
PubChem CID138510220
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione
SMILESC=C/C=C(\C=C)C(=O)CN1C(=O)N(C)CC(C)(C2CCCCC2)C1=O
InChIInChI=1S/C20H28N2O3/c1-5-10-15(6-2)17(23)13-22-18(24)20(3,14-21(4)19(22)25)16-11-8-7-9-12-16/h5-6,10,16H,1-2,7-9,11-14H2,3-4H3/b15-10+
InChIKeyGCDOCIFGLYWJJK-XNTDXEJSSA-N
XLogP3.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-5-fluoro-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 138509969
5-(cyclohexen-1-yl)-1-ethyl-3-[(3E,5Z)-7-fluoro-2-oxoocta-3,5,7-trienyl]-5-methyl-1,3-diazinane-2,4,6-trione
CID 138510089
5-(cyclohexen-1-yl)-1-[(3E)-3-ethenyl-5-fluoro-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 138510148
5-cyclopentyl-1-[(3E,5Z)-7-fluoro-2-oxoocta-3,5,7-trienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 138510243
5-Cyclohex-2-en-1-yl-1-ethyl-3-[2-(3-fluorocyclohexyl)-2-oxoethyl]-5-methyl-1,3-diazinane-2,4,6-trione
CID 153310773
5-(Cyclohexen-1-yl)-1-(2-cyclohexyl-2-oxoethyl)-3-ethyl-5-methyl-1,3-diazinane-2,4,6-trione
CID 90371476
1-(2-Cyclohexyl-2-oxoethyl)-3,5-dimethyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
CID 90371509
1,2,3-Trimethylspiro[1,3-diazinane-5,5'-2,3,4,4a,6,7-hexahydronaphthalene]-1',4,6-trione
CID 118371306
5-cyclohexyl-3,5-dimethyl-1-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]-1,3-diazinane-2,4-dione
CID 138509944
5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 138509957
5-cyclohexyl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 138509986
5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione
CID 138509992

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione (CID 138510220) is 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione is C=C/C=C(\C=C)C(=O)CN1C(=O)N(C)CC(C)(C2CCCCC2)C1=O.
What is the InChIKey of 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is GCDOCIFGLYWJJK-XNTDXEJSSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-5-10-15(6-2)17(23)13-22-18(24)20(3,14-21(4)19(22)25)16-11-8-7-9-12-16/h5-6,10,16H,1-2,7-9,11-14H2,3-4H3/b15-10+.
What are the key properties of 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione?
5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 344.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 138510220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).