4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate

C51H72N8O16 — CID 163966525

About 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate

4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate (PubChem CID 163966525) has the molecular formula C51H72N8O16 and a molecular weight of 1053.18 g/mol. Its IUPAC name is 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate.

Molecular Properties

• Compound Name: 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate
• PubChem CID: 163966525
• Molecular Formula: C51H72N8O16
• Molecular Weight: 1053.18 g/mol
• Exact Mass: 1052.51
• IUPAC Name: 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCCOCCOCCOCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.NCCCOCCOCCOCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C28H40N4O9.C23H32N4O7/c1-28(2,3)41-27(37)30-12-6-14-39-16-18-40-17-15-38-13-5-11-29-20-8-4-7-19-23(20)26(36)32(25(19)35)21-9-10-22(33)31-24(21)34;24-8-2-10-32-12-14-34-15-13-33-11-3-9-25-17-5-1-4-16-20(17)23(31)27(22(16)30)18-6-7-19(28)26-21(18)29/h4,7-8,21,29H,5-6,9-18H2,1-3H3,(H,30,37)(H,31,33,34);1,4-5,18,25H,2-3,6-15,24H2,(H,26,28,29)
• InChIKey: SMGRENRIXBROJY-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 310.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 31
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1053.18
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

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 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate?

The IUPAC name of 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate (CID 163966525) is 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate.

What is the SMILES notation for 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate?

The canonical SMILES for 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate is CC(C)(C)OC(=O)NCCCOCCOCCOCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.NCCCOCCOCCOCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate?

The InChIKey is SMGRENRIXBROJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O9.C23H32N4O7/c1-28(2,3)41-27(37)30-12-6-14-39-16-18-40-17-15-38-13-5-11-29-20-8-4-7-19-23(20)26(36)32(25(19)35)21-9-10-22(33)31-24(21)34;24-8-2-10-32-12-14-34-15-13-33-11-3-9-25-17-5-1-4-16-20(17)23(31)27(22(16)30)18-6-7-19(28)26-21(18)29/h4,7-8,21,29H,5-6,9-18H2,1-3H3,(H,30,37)(H,31,33,34);1,4-5,18,25H,2-3,6-15,24H2,(H,26,28,29).

What are the key properties of 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate?

4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate has a molecular weight of 1053.18 g/mol, XLogP of 2.14, 31 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate is sourced from PubChem (CID 163966525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).