tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate

C25H36N4O7 — CID 171510890

About tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 171510890) has the molecular formula C25H36N4O7 and a molecular weight of 504.58 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 171510890
• Molecular Formula: C25H36N4O7
• Molecular Weight: 504.58 g/mol
• Exact Mass: 504.26
• IUPAC Name: tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate
• SMILES: CC1NC(=O)CCC1N1C(=O)c2cccc(NCCOCCOCCNC(=O)OC(C)(C)C)c2C1=O
• InChI: InChI=1S/C25H36N4O7/c1-16-19(8-9-20(30)28-16)29-22(31)17-6-5-7-18(21(17)23(29)32)26-10-12-34-14-15-35-13-11-27-24(33)36-25(2,3)4/h5-7,16,19,26H,8-15H2,1-4H3,(H,27,33)(H,28,30)
• InChIKey: PZKYPAKLURTQBJ-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 135.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.58
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate (CID 171510890) is tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate is CC1NC(=O)CCC1N1C(=O)c2cccc(NCCOCCOCCNC(=O)OC(C)(C)C)c2C1=O.

What is the InChIKey of tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is PZKYPAKLURTQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O7/c1-16-19(8-9-20(30)28-16)29-22(31)17-6-5-7-18(21(17)23(29)32)26-10-12-34-14-15-35-13-11-27-24(33)36-25(2,3)4/h5-7,16,19,26H,8-15H2,1-4H3,(H,27,33)(H,28,30).

What are the key properties of tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate?

tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 504.58 g/mol, XLogP of 1.92, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-[[2-(2-methyl-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 171510890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).