1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione

C18H30N2O3 — CID 20255

IUPAC1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H30N2O3/c1-2-3-4-5-6-10-13-15-16(21)19-18(23)20(17(15)22)14-11-8-7-9-12-14/h14-15H,2-13H2,1H3,(H,19,21,23)
InChIKeyADMXJQOJLRCZDT-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.76
Rot. Bonds8

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

1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione (PubChem CID 20255) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione
PubChem CID20255
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H30N2O3/c1-2-3-4-5-6-10-13-15-16(21)19-18(23)20(17(15)22)14-11-8-7-9-12-14/h14-15H,2-13H2,1H3,(H,19,21,23)
InChIKeyADMXJQOJLRCZDT-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione (CID 20255) is 1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione is CCCCCCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ADMXJQOJLRCZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-2-3-4-5-6-10-13-15-16(21)19-18(23)20(17(15)22)14-11-8-7-9-12-14/h14-15H,2-13H2,1H3,(H,19,21,23).
What are the key properties of 1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione has a molecular weight of 322.45 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-octyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 20255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).