1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione

C18H22N2O3 — CID 13968

IUPAC1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1C(=O)N(c2ccccc2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H22N2O3/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/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3
InChIKeyVHGLHDSRPPOBQD-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.34
Rot. Bonds3

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

1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 13968) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID13968
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1C(=O)N(c2ccccc2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H22N2O3/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/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3
InChIKeyVHGLHDSRPPOBQD-UHFFFAOYSA-N
XLogP3.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.34
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-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione (CID 13968) is 1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione is CCC1C(=O)N(c2ccccc2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VHGLHDSRPPOBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/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/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3.
What are the key properties of 1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 314.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).