tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C46H94N4O20 — CID 129175990

About tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 129175990) has the molecular formula C46H94N4O20 and a molecular weight of 1023.27 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• PubChem CID: 129175990
• Molecular Formula: C46H94N4O20
• Molecular Weight: 1023.27 g/mol
• Exact Mass: 1022.65
• IUPAC Name: tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• SMILES: CC(C)(C)OC(=O)N(OCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCOCCN)CCOCCOCCOCCOCCOCCN)C(=O)OC(C)(C)C
• InChI: InChI=1S/C46H94N4O20/c1-45(2,3)69-43(51)50(44(52)70-46(4,5)6)68-42-41-67-40-39-66-38-37-65-36-31-62-26-21-57-16-11-49(9-14-55-19-24-60-29-34-63-32-27-58-22-17-53-12-7-47)10-15-56-20-25-61-30-35-64-33-28-59-23-18-54-13-8-48/h7-42,47-48H2,1-6H3
• InChIKey: QAZCLUCRANJGHC-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 258.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 53
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.27
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

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-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 129175990) is tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(OCCOCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCOCCN)CCOCCOCCOCCOCCOCCN)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The InChIKey is QAZCLUCRANJGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H94N4O20/c1-45(2,3)69-43(51)50(44(52)70-46(4,5)6)68-42-41-67-40-39-66-38-37-65-36-31-62-26-21-57-16-11-49(9-14-55-19-24-60-29-34-63-32-27-58-22-17-53-12-7-47)10-15-56-20-25-61-30-35-64-33-28-59-23-18-54-13-8-48/h7-42,47-48H2,1-6H3.

What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 1023.27 g/mol, XLogP of 1.56, 53 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 129175990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).