5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione

C16H26N2O3 — CID 115947078

IUPAC5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(CC2CCCCC2C)C1=O
InChIInChI=1S/C16H26N2O3/c1-4-16(5-2)13(19)17-15(21)18(14(16)20)10-12-9-7-6-8-11(12)3/h11-12H,4-10H2,1-3H3,(H,17,19,21)
InChIKeyGEUSFZIUHFIECB-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.70
Rot. Bonds4

About 5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione

5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 115947078) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID115947078
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(CC2CCCCC2C)C1=O
InChIInChI=1S/C16H26N2O3/c1-4-16(5-2)13(19)17-15(21)18(14(16)20)10-12-9-7-6-8-11(12)3/h11-12H,4-10H2,1-3H3,(H,17,19,21)
InChIKeyGEUSFZIUHFIECB-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
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 5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione (CID 115947078) is 5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(CC2CCCCC2C)C1=O.
What is the InChIKey of 5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is GEUSFZIUHFIECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-16(5-2)13(19)17-15(21)18(14(16)20)10-12-9-7-6-8-11(12)3/h11-12H,4-10H2,1-3H3,(H,17,19,21).
What are the key properties of 5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 294.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[(2-methylcyclohexyl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115947078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).