1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione

C16H20N2O3 — CID 115945944

IUPAC1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C16H20N2O3/c1-5-16(6-2)13(19)17-15(21)18(14(16)20)12-8-10(3)7-11(4)9-12/h7-9H,5-6H2,1-4H3,(H,17,19,21)
InChIKeyMFIOUFZBMQQTGG-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.69
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione

1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 115945944) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID115945944
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C16H20N2O3/c1-5-16(6-2)13(19)17-15(21)18(14(16)20)12-8-10(3)7-11(4)9-12/h7-9H,5-6H2,1-4H3,(H,17,19,21)
InChIKeyMFIOUFZBMQQTGG-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.69
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 1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 115945944) is 1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is MFIOUFZBMQQTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-16(6-2)13(19)17-15(21)18(14(16)20)12-8-10(3)7-11(4)9-12/h7-9H,5-6H2,1-4H3,(H,17,19,21).
What are the key properties of 1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 288.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115945944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).