4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione

C22H22N2O4 — CID 166816641

IUPAC4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione
SMILESCC(C)(C)Cc1ccc2cccc3c2c1C(=O)N(C1CCC(=O)NC1=O)C3=O
InChIInChI=1S/C22H22N2O4/c1-22(2,3)11-13-8-7-12-5-4-6-14-17(12)18(13)21(28)24(20(14)27)15-9-10-16(25)23-19(15)26/h4-8,15H,9-11H2,1-3H3,(H,23,25,26)
InChIKeyXXPWFNJYNYGUBY-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.83
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione

4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 166816641) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID166816641
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione
SMILESCC(C)(C)Cc1ccc2cccc3c2c1C(=O)N(C1CCC(=O)NC1=O)C3=O
InChIInChI=1S/C22H22N2O4/c1-22(2,3)11-13-8-7-12-5-4-6-14-17(12)18(13)21(28)24(20(14)27)15-9-10-16(25)23-19(15)26/h4-8,15H,9-11H2,1-3H3,(H,23,25,26)
InChIKeyXXPWFNJYNYGUBY-UHFFFAOYSA-N
XLogP2.83
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione with MolForge

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Related Compounds

4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134488749
4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
CID 156883025
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 158666282
2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione
CID 164762929
2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione
CID 158773174
4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162504446

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione (CID 166816641) is 4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione is CC(C)(C)Cc1ccc2cccc3c2c1C(=O)N(C1CCC(=O)NC1=O)C3=O.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is XXPWFNJYNYGUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-22(2,3)11-13-8-7-12-5-4-6-14-17(12)18(13)21(28)24(20(14)27)15-9-10-16(25)23-19(15)26/h4-8,15H,9-11H2,1-3H3,(H,23,25,26).
What are the key properties of 4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione?
4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 378.43 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 166816641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).