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

C17H14N2O3 — CID 20607089

IUPAC1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(N2C(=O)CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-12-7-9-14(10-8-12)19-16(21)11-15(20)18(17(19)22)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyOGUJHOOYIAZQNP-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.88
Rot. Bonds2

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

1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 20607089) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID20607089
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(N2C(=O)CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-12-7-9-14(10-8-12)19-16(21)11-15(20)18(17(19)22)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyOGUJHOOYIAZQNP-UHFFFAOYSA-N
XLogP2.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.88
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-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione (CID 20607089) is 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione is Cc1ccc(N2C(=O)CC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is OGUJHOOYIAZQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-12-7-9-14(10-8-12)19-16(21)11-15(20)18(17(19)22)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione?
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 294.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 20607089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).