2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione

C19H23N3O8 — CID 157021264

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NOCCOCCOCCO)c3C2=O)C(=O)N1
InChIInChI=1S/C19H23N3O8/c23-6-7-28-8-9-29-10-11-30-21-13-3-1-2-12-16(13)19(27)22(18(12)26)14-4-5-15(24)20-17(14)25/h1-3,14,21,23H,4-11H2,(H,20,24,25)
InChIKeyNXARHTSDTVLZDY-UHFFFAOYSA-N
MW421.41 g/mol
LogP-0.54
Rot. Bonds11

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione (PubChem CID 157021264) has the molecular formula C19H23N3O8 and a molecular weight of 421.41 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione
PubChem CID157021264
Molecular FormulaC19H23N3O8
Molecular Weight421.41 g/mol
Exact Mass421.15
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NOCCOCCOCCO)c3C2=O)C(=O)N1
InChIInChI=1S/C19H23N3O8/c23-6-7-28-8-9-29-10-11-30-21-13-3-1-2-12-16(13)19(27)22(18(12)26)14-4-5-15(24)20-17(14)25/h1-3,14,21,23H,4-11H2,(H,20,24,25)
InChIKeyNXARHTSDTVLZDY-UHFFFAOYSA-N
XLogP-0.54
TPSA143.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]isoindole-1,3-dione
CID 166152544
3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide
CID 166807997
2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 146309802
2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 166772095
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 131999707
4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 166681219
2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 170175173
3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide
CID 175767467
4-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 169450028
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 139035832
N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide
CID 154003382

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione (CID 157021264) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(NOCCOCCOCCO)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione?
The InChIKey is NXARHTSDTVLZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O8/c23-6-7-28-8-9-29-10-11-30-21-13-3-1-2-12-16(13)19(27)22(18(12)26)14-4-5-15(24)20-17(14)25/h1-3,14,21,23H,4-11H2,(H,20,24,25).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione has a molecular weight of 421.41 g/mol, XLogP of -0.54, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione is sourced from PubChem (CID 157021264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).