1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione

C18H16N2O3 — CID 584018

IUPAC1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1ccccc1N1C(=O)CC(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C18H16N2O3/c1-12-7-3-5-9-14(12)19-16(21)11-17(22)20(18(19)23)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3
InChIKeyDGLOHGYXWOSKEH-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.19
Rot. Bonds2

About 1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione

1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 584018) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID584018
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1ccccc1N1C(=O)CC(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C18H16N2O3/c1-12-7-3-5-9-14(12)19-16(21)11-17(22)20(18(19)23)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3
InChIKeyDGLOHGYXWOSKEH-UHFFFAOYSA-N
XLogP3.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.19
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 1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione (CID 584018) is 1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione is Cc1ccccc1N1C(=O)CC(=O)N(c2ccccc2C)C1=O.
What is the InChIKey of 1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is DGLOHGYXWOSKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-7-3-5-9-14(12)19-16(21)11-17(22)20(18(19)23)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3.
What are the key properties of 1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 308.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 584018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).