tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate

C24H31N3O5 — CID 171809427

About tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate

tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate (PubChem CID 171809427) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate
• PubChem CID: 171809427
• Molecular Formula: C24H31N3O5
• Molecular Weight: 441.53 g/mol
• Exact Mass: 441.23
• IUPAC Name: tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCC1CC(c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C24H31N3O5/c1-24(2,3)32-23(31)25-10-9-14-11-15(12-14)16-5-4-6-17-18(16)13-27(22(17)30)19-7-8-20(28)26-21(19)29/h4-6,14-15,19H,7-13H2,1-3H3,(H,25,31)(H,26,28,29)
• InChIKey: GFQAKAITMNUKIB-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate (CID 171809427) is tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate is CC(C)(C)OC(=O)NCCC1CC(c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate?

The InChIKey is GFQAKAITMNUKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-24(2,3)32-23(31)25-10-9-14-11-15(12-14)16-5-4-6-17-18(16)13-27(22(17)30)19-7-8-20(28)26-21(19)29/h4-6,14-15,19H,7-13H2,1-3H3,(H,25,31)(H,26,28,29).

What are the key properties of tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate?

tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate has a molecular weight of 441.53 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclobutyl]ethyl]carbamate is sourced from PubChem (CID 171809427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).