2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione

C25H20N2O5 — CID 25015297

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(OCCc4ccc5ccccc5c4)c3C2=O)C(=O)N1
InChIInChI=1S/C25H20N2O5/c28-21-11-10-19(23(29)26-21)27-24(30)18-6-3-7-20(22(18)25(27)31)32-13-12-15-8-9-16-4-1-2-5-17(16)14-15/h1-9,14,19H,10-13H2,(H,26,28,29)
InChIKeyAFHGKZQBMQZXTK-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.86
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione (PubChem CID 25015297) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione
PubChem CID25015297
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(OCCc4ccc5ccccc5c4)c3C2=O)C(=O)N1
InChIInChI=1S/C25H20N2O5/c28-21-11-10-19(23(29)26-21)27-24(30)18-6-3-7-20(22(18)25(27)31)32-13-12-15-8-9-16-4-1-2-5-17(16)14-15/h1-9,14,19H,10-13H2,(H,26,28,29)
InChIKeyAFHGKZQBMQZXTK-UHFFFAOYSA-N
XLogP2.86
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione
CID 147119845
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione
CID 124563278
2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione
CID 124563279
4-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155292143
4-(8-aminooctoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 121448705
2-(2,6-dioxopiperidin-3-yl)-4-(2-piperidin-4-ylethoxy)isoindole-1,3-dione;hydrochloride
CID 170701524
2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
CID 166167636
4-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 155292142
4-(5-aminopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 146150393
4-[(3,4-dihydroxyphenyl)methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71066885
2-(2,6-dioxopiperidin-3-yl)-4-(2-piperazin-1-ylethoxy)isoindole-1,3-dione
CID 155292487
2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]acetic acid
CID 150803876

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione (CID 25015297) is 2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(OCCc4ccc5ccccc5c4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione?
The InChIKey is AFHGKZQBMQZXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c28-21-11-10-19(23(29)26-21)27-24(30)18-6-3-7-20(22(18)25(27)31)32-13-12-15-8-9-16-4-1-2-5-17(16)14-15/h1-9,14,19H,10-13H2,(H,26,28,29).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione has a molecular weight of 428.44 g/mol, XLogP of 2.86, 5 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-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione is sourced from PubChem (CID 25015297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).