1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione

C17H16N2O2 — CID 60837294

IUPAC1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione
SMILESCc1ccc(N2CCC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-13-7-9-14(10-8-13)18-12-11-16(20)19(17(18)21)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyNUNDRGMTWYXGGU-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.36
Rot. Bonds2

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

1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione (PubChem CID 60837294) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione
PubChem CID60837294
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione
SMILESCc1ccc(N2CCC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-13-7-9-14(10-8-13)18-12-11-16(20)19(17(18)21)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyNUNDRGMTWYXGGU-UHFFFAOYSA-N
XLogP3.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione (CID 60837294) is 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione is Cc1ccc(N2CCC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione?
The InChIKey is NUNDRGMTWYXGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-7-9-14(10-8-13)18-12-11-16(20)19(17(18)21)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione?
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione has a molecular weight of 280.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 60837294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).