4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C26H34N2O7 — CID 167471241

IUPAC4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC(C)(C)CC(=O)CCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H34N2O7/c1-26(2,3)16-18(29)11-13-35-15-14-34-12-5-7-17-6-4-8-19-22(17)25(33)28(24(19)32)20-9-10-21(30)27-23(20)31/h4,6,8,20H,5,7,9-16H2,1-3H3,(H,27,30,31)
InChIKeyXADQNYMIKLOALA-UHFFFAOYSA-N
MW486.57 g/mol
LogP2.45
Rot. Bonds12

About 4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167471241) has the molecular formula C26H34N2O7 and a molecular weight of 486.57 g/mol. Its IUPAC name is 4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167471241
Molecular FormulaC26H34N2O7
Molecular Weight486.57 g/mol
Exact Mass486.24
IUPAC Name4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC(C)(C)CC(=O)CCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H34N2O7/c1-26(2,3)16-18(29)11-13-35-15-14-34-12-5-7-17-6-4-8-19-22(17)25(33)28(24(19)32)20-9-10-21(30)27-23(20)31/h4,6,8,20H,5,7,9-16H2,1-3H3,(H,27,30,31)
InChIKeyXADQNYMIKLOALA-UHFFFAOYSA-N
XLogP2.45
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-4-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione
CID 155449044
tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate
CID 157246096
tert-butyl N-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl]-N-methylcarbamate
CID 146598924
4-[3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 155292239
2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-(methylamino)ethoxy]propyl]isoindole-1,3-dione
CID 138694083
4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione
CID 158773174
tert-butyl 3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptoxy]propanoate
CID 166007620
4-(11-aminoundecyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 160780057
2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[5-(2-piperazin-1-ylethoxy)pentyl]isoindole-1,3-dione
CID 155673288
2-(2,6-dioxopiperidin-3-yl)-4-[11-(methylamino)undecyl]isoindole-1,3-dione
CID 167194550
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167471241) is 4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC(C)(C)CC(=O)CCOCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is XADQNYMIKLOALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O7/c1-26(2,3)16-18(29)11-13-35-15-14-34-12-5-7-17-6-4-8-19-22(17)25(33)28(24(19)32)20-9-10-21(30)27-23(20)31/h4,6,8,20H,5,7,9-16H2,1-3H3,(H,27,30,31).
What are the key properties of 4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 486.57 g/mol, XLogP of 2.45, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167471241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).