tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate

C24H30N2O7 — CID 157246096

IUPACtert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate
SMILESCC(C)(C)OC(=O)CCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H30N2O7/c1-24(2,3)33-19(28)10-6-14-32-13-5-8-15-7-4-9-16-20(15)23(31)26(22(16)30)17-11-12-18(27)25-21(17)29/h4,7,9,17H,5-6,8,10-14H2,1-3H3,(H,25,27,29)
InChIKeyAVUAGFQFHSNPCO-UHFFFAOYSA-N
MW458.51 g/mol
LogP2.16
Rot. Bonds9

About tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate

tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate (PubChem CID 157246096) has the molecular formula C24H30N2O7 and a molecular weight of 458.51 g/mol. Its IUPAC name is tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate.

Molecular Properties

Compound Nametert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate
PubChem CID157246096
Molecular FormulaC24H30N2O7
Molecular Weight458.51 g/mol
Exact Mass458.21
IUPAC Nametert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate
SMILESCC(C)(C)OC(=O)CCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H30N2O7/c1-24(2,3)33-19(28)10-6-14-32-13-5-8-15-7-4-9-16-20(15)23(31)26(22(16)30)17-11-12-18(27)25-21(17)29/h4,7,9,17H,5-6,8,10-14H2,1-3H3,(H,25,27,29)
InChIKeyAVUAGFQFHSNPCO-UHFFFAOYSA-N
XLogP2.16
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.16
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'}

Analyze tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate with MolForge

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Launch Full Analysis

Related Compounds

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-(5,5-dimethyl-3-oxohexoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167471241
2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione
CID 155449044
tert-butyl 3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptoxy]propanoate
CID 166007620
2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-(methylamino)ethoxy]propyl]isoindole-1,3-dione
CID 138694083
tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate
CID 146410711
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
4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
tert-butyl 2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutoxy]acetate
CID 167164099
2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione
CID 158773174
tert-butyl 3-[2-(2-bromoethoxy)ethoxy]propanoate;tert-butyl 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoate;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
CID 165103372
tert-butyl 3-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propanoate
CID 156735785

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate?
The IUPAC name of tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate (CID 157246096) is tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate.
What is the SMILES notation for tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate?
The canonical SMILES for tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate is CC(C)(C)OC(=O)CCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate?
The InChIKey is AVUAGFQFHSNPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7/c1-24(2,3)33-19(28)10-6-14-32-13-5-8-15-7-4-9-16-20(15)23(31)26(22(16)30)17-11-12-18(27)25-21(17)29/h4,7,9,17H,5-6,8,10-14H2,1-3H3,(H,25,27,29).
What are the key properties of tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate?
tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate has a molecular weight of 458.51 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate is sourced from PubChem (CID 157246096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).