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

C34H51N5O10 — CID 170403947

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

tert-butyl N-[1-[2-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propoxy]ethyl]piperidin-4-yl]carbamate (PubChem CID 170403947) has the molecular formula C34H51N5O10 and a molecular weight of 689.81 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propoxy]ethyl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[2-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propoxy]ethyl]piperidin-4-yl]carbamate
• PubChem CID: 170403947
• Molecular Formula: C34H51N5O10
• Molecular Weight: 689.81 g/mol
• Exact Mass: 689.36
• IUPAC Name: tert-butyl N-[1-[2-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propoxy]ethyl]piperidin-4-yl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1CCN(CCOCCCOCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/C34H51N5O10/c1-34(2,3)49-33(44)36-24-10-13-38(14-11-24)15-19-45-16-5-17-46-20-22-48-23-21-47-18-12-35-26-7-4-6-25-29(26)32(43)39(31(25)42)27-8-9-28(40)37-30(27)41/h4,6-7,24,27,35H,5,8-23H2,1-3H3,(H,36,44)(H,37,40,41)
• InChIKey: JITNXPKLYSBFFX-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 174.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.81
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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

The IUPAC name of tert-butyl N-[1-[2-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propoxy]ethyl]piperidin-4-yl]carbamate (CID 170403947) is tert-butyl N-[1-[2-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propoxy]ethyl]piperidin-4-yl]carbamate.

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

The canonical SMILES for tert-butyl N-[1-[2-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propoxy]ethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CCOCCCOCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.

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

The InChIKey is JITNXPKLYSBFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N5O10/c1-34(2,3)49-33(44)36-24-10-13-38(14-11-24)15-19-45-16-5-17-46-20-22-48-23-21-47-18-12-35-26-7-4-6-25-29(26)32(43)39(31(25)42)27-8-9-28(40)37-30(27)41/h4,6-7,24,27,35H,5,8-23H2,1-3H3,(H,36,44)(H,37,40,41).

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

tert-butyl N-[1-[2-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propoxy]ethyl]piperidin-4-yl]carbamate has a molecular weight of 689.81 g/mol, XLogP of 1.95, 19 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[2-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propoxy]ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 170403947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).