tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate

C24H44N2O11 — CID 58341968

About tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate

tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate (PubChem CID 58341968) has the molecular formula C24H44N2O11 and a molecular weight of 536.62 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
• PubChem CID: 58341968
• Molecular Formula: C24H44N2O11
• Molecular Weight: 536.62 g/mol
• Exact Mass: 536.29
• IUPAC Name: tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
• SMILES: CC12COC(CCCOCCOCCOCCOCCNC(=O)CONC(=O)OC(C)(C)C)(OC1)OC2
• InChI: InChI=1S/C24H44N2O11/c1-22(2,3)37-21(28)26-36-16-20(27)25-7-9-30-11-13-32-15-14-31-12-10-29-8-5-6-24-33-17-23(4,18-34-24)19-35-24/h5-19H2,1-4H3,(H,25,27)(H,26,28)
• InChIKey: JKOTXNRJBMRRCC-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 141.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.62
LogP ≤ 5	1.14
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate (CID 58341968) is tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate is CC12COC(CCCOCCOCCOCCOCCNC(=O)CONC(=O)OC(C)(C)C)(OC1)OC2.

What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate?

The InChIKey is JKOTXNRJBMRRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O11/c1-22(2,3)37-21(28)26-36-16-20(27)25-7-9-30-11-13-32-15-14-31-12-10-29-8-5-6-24-33-17-23(4,18-34-24)19-35-24/h5-19H2,1-4H3,(H,25,27)(H,26,28).

What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate?

tert-butyl N-[2-[2-[2-[2-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate has a molecular weight of 536.62 g/mol, XLogP of 1.14, 19 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-[2-[3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate is sourced from PubChem (CID 58341968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).