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

C24H28N2O3 — CID 18408746

IUPAC5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCCCC1(c2ccccc2)C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C24H28N2O3/c1-2-3-4-5-6-13-18-24(19-14-9-7-10-15-19)21(27)25-23(29)26(22(24)28)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3,(H,25,27,29)
InChIKeyYYZDSGPCEYPHSA-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.96
Rot. Bonds9

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

5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione (PubChem CID 18408746) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione
PubChem CID18408746
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCCCC1(c2ccccc2)C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C24H28N2O3/c1-2-3-4-5-6-13-18-24(19-14-9-7-10-15-19)21(27)25-23(29)26(22(24)28)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3,(H,25,27,29)
InChIKeyYYZDSGPCEYPHSA-UHFFFAOYSA-N
XLogP4.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.96
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 5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione (CID 18408746) is 5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione is CCCCCCCCC1(c2ccccc2)C(=O)NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is YYZDSGPCEYPHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-2-3-4-5-6-13-18-24(19-14-9-7-10-15-19)21(27)25-23(29)26(22(24)28)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3,(H,25,27,29).
What are the key properties of 5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione?
5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 392.50 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-1,5-diphenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 18408746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).