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

C35H53N5O11 — CID 170395116

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

tert-butyl N-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]carbamate (PubChem CID 170395116) has the molecular formula C35H53N5O11 and a molecular weight of 719.83 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]carbamate
• PubChem CID: 170395116
• Molecular Formula: C35H53N5O11
• Molecular Weight: 719.83 g/mol
• Exact Mass: 719.37
• IUPAC Name: tert-butyl N-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1CCN(CCOCCOCCOCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/C35H53N5O11/c1-35(2,3)51-34(45)37-25-9-12-39(13-10-25)14-16-47-18-20-49-22-24-50-23-21-48-19-17-46-15-11-36-27-6-4-5-26-30(27)33(44)40(32(26)43)28-7-8-29(41)38-31(28)42/h4-6,25,28,36H,7-24H2,1-3H3,(H,37,45)(H,38,41,42)
• InChIKey: SEVQRHQQDWAAAR-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 183.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.83
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]carbamate (CID 170395116) is tert-butyl N-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]carbamate.

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

The canonical SMILES for tert-butyl N-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CCOCCOCCOCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.

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

The InChIKey is SEVQRHQQDWAAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H53N5O11/c1-35(2,3)51-34(45)37-25-9-12-39(13-10-25)14-16-47-18-20-49-22-24-50-23-21-48-19-17-46-15-11-36-27-6-4-5-26-30(27)33(44)40(32(26)43)28-7-8-29(41)38-31(28)42/h4-6,25,28,36H,7-24H2,1-3H3,(H,37,45)(H,38,41,42).

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

tert-butyl N-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]carbamate has a molecular weight of 719.83 g/mol, XLogP of 1.57, 21 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 170395116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).