1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione

C18H22N2O3 — CID 20746519

IUPAC1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(N2C(=O)CC(=O)N(C3CCCCC3)C2=O)c(C)c1
InChIInChI=1S/C18H22N2O3/c1-12-8-9-15(13(2)10-12)20-17(22)11-16(21)19(18(20)23)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3
InChIKeyVWMVCZPXEAZEAO-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.32
Rot. Bonds2

About 1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione

1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 20746519) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID20746519
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(N2C(=O)CC(=O)N(C3CCCCC3)C2=O)c(C)c1
InChIInChI=1S/C18H22N2O3/c1-12-8-9-15(13(2)10-12)20-17(22)11-16(21)19(18(20)23)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3
InChIKeyVWMVCZPXEAZEAO-UHFFFAOYSA-N
XLogP3.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione (CID 20746519) is 1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione is Cc1ccc(N2C(=O)CC(=O)N(C3CCCCC3)C2=O)c(C)c1.
What is the InChIKey of 1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is VWMVCZPXEAZEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-8-9-15(13(2)10-12)20-17(22)11-16(21)19(18(20)23)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 314.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 20746519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).