2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione

C26H26N2O4 — CID 70464685

IUPAC2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione
SMILESCC1(C)CC(C)(N2C(=O)c3ccccc3C2=O)CC(C)(N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C26H26N2O4/c1-24(2)13-25(3,27-20(29)16-9-5-6-10-17(16)21(27)30)15-26(4,14-24)28-22(31)18-11-7-8-12-19(18)23(28)32/h5-12H,13-15H2,1-4H3
InChIKeyTUYHXISDIVAEIO-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.31
Rot. Bonds2

About 2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione

2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione (PubChem CID 70464685) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione
PubChem CID70464685
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione
SMILESCC1(C)CC(C)(N2C(=O)c3ccccc3C2=O)CC(C)(N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C26H26N2O4/c1-24(2)13-25(3,27-20(29)16-9-5-6-10-17(16)21(27)30)15-26(4,14-24)28-22(31)18-11-7-8-12-19(18)23(28)32/h5-12H,13-15H2,1-4H3
InChIKeyTUYHXISDIVAEIO-UHFFFAOYSA-N
XLogP4.31
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-(3-methylazetidin-3-yl)isoindole-1,3-dione
CID 131014758
3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one
CID 114697546
methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
CID 15168083
2-(3-fluoro-5,7-dimethyl-1-adamantyl)isoindole-1,3-dione
CID 129270305
2-(1-sulfanylcyclohexyl)isoindole-1,3-dione
CID 88768077
4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione
CID 64686613
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
(2S)-2-(1,3-dioxoisoindol-2-yl)spiro[2.2]pentane-2-carboxylic acid
CID 175815475
CID 58970820
CID 58970820
2-[(5R,7R)-3-(1-methylcyclopropyl)-1-adamantyl]isoindole-1,3-dione
CID 98055762
2-(2-ethenyl-2-methylaziridin-1-yl)isoindole-1,3-dione
CID 71369792
2-(2-methyl-2-trimethylsilylcyclopropyl)isoindole-1,3-dione
CID 90361347

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione (CID 70464685) is 2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione is CC1(C)CC(C)(N2C(=O)c3ccccc3C2=O)CC(C)(N2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione?
The InChIKey is TUYHXISDIVAEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-24(2)13-25(3,27-20(29)16-9-5-6-10-17(16)21(27)30)15-26(4,14-24)28-22(31)18-11-7-8-12-19(18)23(28)32/h5-12H,13-15H2,1-4H3.
What are the key properties of 2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione?
2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione has a molecular weight of 430.50 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione is sourced from PubChem (CID 70464685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).