2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione

C17H19N3O5 — CID 156686294

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione
SMILES[3H]CCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H19N3O5/c1-2-25-9-8-18-11-5-3-4-10-14(11)17(24)20(16(10)23)12-6-7-13(21)19-15(12)22/h3-5,12,18H,2,6-9H2,1H3,(H,19,21,22)/i1T
InChIKeyZTSFDPVRTAFLPT-CNRUNOGKSA-N
MW347.36 g/mol
LogP0.54
Rot. Bonds7

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione (PubChem CID 156686294) has the molecular formula C17H19N3O5 and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione
PubChem CID156686294
Molecular FormulaC17H19N3O5
Molecular Weight347.36 g/mol
Exact Mass347.14
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione
SMILES[3H]CCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H19N3O5/c1-2-25-9-8-18-11-5-3-4-10-14(11)17(24)20(16(10)23)12-6-7-13(21)19-15(12)22/h3-5,12,18H,2,6-9H2,1H3,(H,19,21,22)/i1T
InChIKeyZTSFDPVRTAFLPT-CNRUNOGKSA-N
XLogP0.54
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-(2,6-dioxopiperidin-3-yl)-4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]isoindole-1,3-dione
CID 171726342
2-(2,6-dioxopiperidin-3-yl)-4-(4-tritiobutylamino)isoindole-1,3-dione
CID 156686292
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]isoindole-1,3-dione
CID 166152544
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
N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide
CID 154003382
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-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 146309802
N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide
CID 155020195
2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 170175173
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
CID 163291766

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione (CID 156686294) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione is [3H]CCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione?
The InChIKey is ZTSFDPVRTAFLPT-CNRUNOGKSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-2-25-9-8-18-11-5-3-4-10-14(11)17(24)20(16(10)23)12-6-7-13(21)19-15(12)22/h3-5,12,18H,2,6-9H2,1H3,(H,19,21,22)/i1T.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione has a molecular weight of 347.36 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-tritioethoxy)ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 156686294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).