1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione

C16H14N2O2 — CID 3492365

IUPAC1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C16H14N2O2/c1-11-3-7-13(8-4-11)17-15(19)18(16(17)20)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyAZZFGWWOGRBVOV-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.87
Rot. Bonds2

About 1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione

1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione (PubChem CID 3492365) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione
PubChem CID3492365
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C16H14N2O2/c1-11-3-7-13(8-4-11)17-15(19)18(16(17)20)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyAZZFGWWOGRBVOV-UHFFFAOYSA-N
XLogP3.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione?
The IUPAC name of 1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione (CID 3492365) is 1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione.
What is the SMILES notation for 1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione?
The canonical SMILES for 1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione is Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of 1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione?
The InChIKey is AZZFGWWOGRBVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-3-7-13(8-4-11)17-15(19)18(16(17)20)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of 1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione?
1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione is sourced from PubChem (CID 3492365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).