2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione

C21H30N4O6 — CID 156820660

IUPAC2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione
SMILESCNCCN(C)CCOCCOC1=CCCC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C21H30N4O6/c1-22-8-9-24(2)10-11-30-12-13-31-16-5-3-4-14-18(16)21(29)25(20(14)28)15-6-7-17(26)23-19(15)27/h5,15,22H,3-4,6-13H2,1-2H3,(H,23,26,27)
InChIKeyHDDBOSODZDVXEE-UHFFFAOYSA-N
MW434.49 g/mol
LogP-0.68
Rot. Bonds11

About 2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione (PubChem CID 156820660) has the molecular formula C21H30N4O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione
PubChem CID156820660
Molecular FormulaC21H30N4O6
Molecular Weight434.49 g/mol
Exact Mass434.22
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione
SMILESCNCCN(C)CCOCCOC1=CCCC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C21H30N4O6/c1-22-8-9-24(2)10-11-30-12-13-31-16-5-3-4-14-18(16)21(29)25(20(14)28)15-6-7-17(26)23-19(15)27/h5,15,22H,3-4,6-13H2,1-2H3,(H,23,26,27)
InChIKeyHDDBOSODZDVXEE-UHFFFAOYSA-N
XLogP-0.68
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 166064249
2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione
CID 163373811
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[5-(methylamino)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 167004668
2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-(methylamino)ethoxy]propyl]isoindole-1,3-dione
CID 138694083
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 156828351
7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione
CID 165055893
2-(2,6-dioxopiperidin-3-yl)-5-[3-(methylamino)propoxy]isoindole-1,3-dione;hydrochloride
CID 166064309
2-(2,6-dioxopiperidin-3-yl)-5-[[methyl-[3-(methylamino)propyl]amino]methyl]isoindole-1,3-dione
CID 167735217
2-(2,6-dioxopiperidin-3-yl)-5-[5-(methylamino)pentoxy]isoindole-1,3-dione;hydrochloride
CID 166064297
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxyamino]isoindole-1,3-dione
CID 157021264
3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714655
3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 163373737

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione (CID 156820660) is 2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione is CNCCN(C)CCOCCOC1=CCCC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione?
The InChIKey is HDDBOSODZDVXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O6/c1-22-8-9-24(2)10-11-30-12-13-31-16-5-3-4-14-18(16)21(29)25(20(14)28)15-6-7-17(26)23-19(15)27/h5,15,22H,3-4,6-13H2,1-2H3,(H,23,26,27).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione has a molecular weight of 434.49 g/mol, XLogP of -0.68, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione is sourced from PubChem (CID 156820660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).