2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione

C22H20N2O5 — CID 25015511

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione
SMILESCC(C)c1ccc(Oc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C22H20N2O5/c1-12(2)13-6-8-14(9-7-13)29-17-5-3-4-15-19(17)22(28)24(21(15)27)16-10-11-18(25)23-20(16)26/h3-9,12,16H,10-11H2,1-2H3,(H,23,25,26)
InChIKeyDNNJBDHZYCWDEP-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.00
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione (PubChem CID 25015511) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione
PubChem CID25015511
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione
SMILESCC(C)c1ccc(Oc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C22H20N2O5/c1-12(2)13-6-8-14(9-7-13)29-17-5-3-4-15-19(17)22(28)24(21(15)27)16-10-11-18(25)23-20(16)26/h3-9,12,16H,10-11H2,1-2H3,(H,23,25,26)
InChIKeyDNNJBDHZYCWDEP-UHFFFAOYSA-N
XLogP3.00
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione (CID 25015511) is 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione is CC(C)c1ccc(Oc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione?
The InChIKey is DNNJBDHZYCWDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-12(2)13-6-8-14(9-7-13)29-17-5-3-4-15-19(17)22(28)24(21(15)27)16-10-11-18(25)23-20(16)26/h3-9,12,16H,10-11H2,1-2H3,(H,23,25,26).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione has a molecular weight of 392.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-(4-propan-2-ylphenoxy)isoindole-1,3-dione is sourced from PubChem (CID 25015511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).