tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate

C39H72N2O15 — CID 170422260

About tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 170422260) has the molecular formula C39H72N2O15 and a molecular weight of 809.00 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 170422260
• Molecular Formula: C39H72N2O15
• Molecular Weight: 809.00 g/mol
• Exact Mass: 808.49
• IUPAC Name: tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate
• SMILES: C#CCOCCOCCOCCOCCC(=O)C(CCOCCOCCOCCNC(=O)OC(C)(C)C)CCOCCOCCOCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C39H72N2O15/c1-8-14-45-20-26-51-32-33-54-29-23-48-17-11-35(42)34(9-15-46-21-27-52-30-24-49-18-12-40-36(43)55-38(2,3)4)10-16-47-22-28-53-31-25-50-19-13-41-37(44)56-39(5,6)7/h1,34H,9-33H2,2-7H3,(H,40,43)(H,41,44)
• InChIKey: GSEZCNXIUGKJAS-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 186.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 38
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.00
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate (CID 170422260) is tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate is C#CCOCCOCCOCCOCCC(=O)C(CCOCCOCCOCCNC(=O)OC(C)(C)C)CCOCCOCCOCCNC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is GSEZCNXIUGKJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H72N2O15/c1-8-14-45-20-26-51-32-33-54-29-23-48-17-11-35(42)34(9-15-46-21-27-52-30-24-49-18-12-40-36(43)55-38(2,3)4)10-16-47-22-28-53-31-25-50-19-13-41-37(44)56-39(5,6)7/h1,34H,9-33H2,2-7H3,(H,40,43)(H,41,44).

What are the key properties of tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate?

tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 809.00 g/mol, XLogP of 3.19, 38 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 170422260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).