1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione

C18H28N2O3 — CID 13325

IUPAC1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H28N2O3/c1-2-15-16(21)19(13-9-5-3-6-10-13)18(23)20(17(15)22)14-11-7-4-8-12-14/h13-15H,2-12H2,1H3
InChIKeyYTKIPBSQWDAMQR-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.47
Rot. Bonds3

About 1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione

1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 13325) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID13325
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H28N2O3/c1-2-15-16(21)19(13-9-5-3-6-10-13)18(23)20(17(15)22)14-11-7-4-8-12-14/h13-15H,2-12H2,1H3
InChIKeyYTKIPBSQWDAMQR-UHFFFAOYSA-N
XLogP3.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.47
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 1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione (CID 13325) is 1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione is CCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is YTKIPBSQWDAMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-15-16(21)19(13-9-5-3-6-10-13)18(23)20(17(15)22)14-11-7-4-8-12-14/h13-15H,2-12H2,1H3.
What are the key properties of 1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 320.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).