1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione

C16H22N2O2 — CID 167282782

IUPAC1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESCC(C)c1ccc(N2CCC(=O)NC2=O)c(C(C)C)c1
InChIInChI=1S/C16H22N2O2/c1-10(2)12-5-6-14(13(9-12)11(3)4)18-8-7-15(19)17-16(18)20/h5-6,9-11H,7-8H2,1-4H3,(H,17,19,20)
InChIKeyQGAKDHUMTSCIPK-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.38
Rot. Bonds3

About 1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione

1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 167282782) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione
PubChem CID167282782
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESCC(C)c1ccc(N2CCC(=O)NC2=O)c(C(C)C)c1
InChIInChI=1S/C16H22N2O2/c1-10(2)12-5-6-14(13(9-12)11(3)4)18-8-7-15(19)17-16(18)20/h5-6,9-11H,7-8H2,1-4H3,(H,17,19,20)
InChIKeyQGAKDHUMTSCIPK-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione (CID 167282782) is 1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione is CC(C)c1ccc(N2CCC(=O)NC2=O)c(C(C)C)c1.
What is the InChIKey of 1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is QGAKDHUMTSCIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)12-5-6-14(13(9-12)11(3)4)18-8-7-15(19)17-16(18)20/h5-6,9-11H,7-8H2,1-4H3,(H,17,19,20).
What are the key properties of 1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione?
1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 274.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167282782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).