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

C29H44N4O8 — CID 162489568

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

tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]carbamate (PubChem CID 162489568) has the molecular formula C29H44N4O8 and a molecular weight of 576.69 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]carbamate
• PubChem CID: 162489568
• Molecular Formula: C29H44N4O8
• Molecular Weight: 576.69 g/mol
• Exact Mass: 576.32
• IUPAC Name: tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]carbamate
• SMILES: CC(C)(C)OC(=O)N(CCCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)CCOCCOCCOCCN
• InChI: InChI=1S/C29H44N4O8/c1-29(2,3)41-28(37)32(13-15-39-17-19-40-18-16-38-14-11-30)12-5-7-21-6-4-8-22-23(21)20-33(27(22)36)24-9-10-25(34)31-26(24)35/h4,6,8,24H,5,7,9-20,30H2,1-3H3,(H,31,34,35)
• InChIKey: RNORWWZAOVEANY-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 149.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.69
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]carbamate (CID 162489568) is tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]carbamate.

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

The canonical SMILES for tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]carbamate is CC(C)(C)OC(=O)N(CCCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)CCOCCOCCOCCN.

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

The InChIKey is RNORWWZAOVEANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N4O8/c1-29(2,3)41-28(37)32(13-15-39-17-19-40-18-16-38-14-11-30)12-5-7-21-6-4-8-22-23(21)20-33(27(22)36)24-9-10-25(34)31-26(24)35/h4,6,8,24H,5,7,9-20,30H2,1-3H3,(H,31,34,35).

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

tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]carbamate has a molecular weight of 576.69 g/mol, XLogP of 1.63, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]carbamate is sourced from PubChem (CID 162489568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).