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

C19H22N2O5 — CID 4315836

IUPAC1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(OC)c(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c1
InChIInChI=1S/C19H22N2O5/c1-25-14-8-9-16(26-2)12(10-14)11-15-17(22)20-19(24)21(18(15)23)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,20,22,24)
InChIKeyLOHDZSHESALFHX-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.50
Rot. Bonds4

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

1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 4315836) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID4315836
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(OC)c(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c1
InChIInChI=1S/C19H22N2O5/c1-25-14-8-9-16(26-2)12(10-14)11-15-17(22)20-19(24)21(18(15)23)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,20,22,24)
InChIKeyLOHDZSHESALFHX-UHFFFAOYSA-N
XLogP2.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclopentyl-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 78415939
1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2870590
1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 4202872
5-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 5217941
1-cyclohexyl-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 4034770
(5Z)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-cyclopentyl-1,3-diazinane-2,4,6-trione
CID 126200774
(5E)-1-cyclohexyl-5-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 6107992
1-cyclohexyl-5-[[1-(2-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3338084
5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 3928670
1-cyclohexyl-5-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3719920
1-cyclohexyl-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3309991

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 4315836) is 1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is COc1ccc(OC)c(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c1.
What is the InChIKey of 1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is LOHDZSHESALFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-25-14-8-9-16(26-2)12(10-14)11-15-17(22)20-19(24)21(18(15)23)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,20,22,24).
What are the key properties of 1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 358.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 4315836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).