tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C29H44N4O9 — CID 138496397

About tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 138496397) has the molecular formula C29H44N4O9 and a molecular weight of 592.69 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 138496397
• Molecular Formula: C29H44N4O9
• Molecular Weight: 592.69 g/mol
• Exact Mass: 592.31
• IUPAC Name: tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(CCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)cc21
• InChI: InChI=1S/C29H44N4O9/c1-29(2,3)42-27(36)30-11-13-39-15-17-41-19-18-40-16-14-38-12-5-6-21-7-8-22-24(20-21)32(4)28(37)33(22)23-9-10-25(34)31-26(23)35/h7-8,20,23H,5-6,9-19H2,1-4H3,(H,30,36)(H,31,34,35)
• InChIKey: FMONLSATEBTIDW-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 148.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.69
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 138496397) is tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(CCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)cc21.

What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is FMONLSATEBTIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N4O9/c1-29(2,3)42-27(36)30-11-13-39-15-17-41-19-18-40-16-14-38-12-5-6-21-7-8-22-24(20-21)32(4)28(37)33(22)23-9-10-25(34)31-26(23)35/h7-8,20,23H,5-6,9-19H2,1-4H3,(H,30,36)(H,31,34,35).

What are the key properties of tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 592.69 g/mol, XLogP of 1.84, 17 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 138496397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).