tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate

C73H140N8O28 — CID 58011178

About tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate (PubChem CID 58011178) has the molecular formula C73H140N8O28 and a molecular weight of 1577.95 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate
• PubChem CID: 58011178
• Molecular Formula: C73H140N8O28
• Molecular Weight: 1577.95 g/mol
• Exact Mass: 1576.98
• IUPAC Name: tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCOCCOCCC(=O)NCCCOCCOCC(COCCOCCCNC(=O)CCOCCOCCNC(=O)OC(C)(C)C)(COCCOCCCNC(=O)CCOCCOCCNC(=O)OC(C)(C)C)COCCOCCCNC(=O)CCOCCOCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C73H140N8O28/c1-69(2,3)106-65(86)78-25-37-98-45-41-94-33-17-61(82)74-21-13-29-90-49-53-102-57-73(58-103-54-50-91-30-14-22-75-62(83)18-34-95-42-46-99-38-26-79-66(87)107-70(4,5)6,59-104-55-51-92-31-15-23-76-63(84)19-35-96-43-47-100-39-27-80-67(88)108-71(7,8)9)60-105-56-52-93-32-16-24-77-64(85)20-36-97-44-48-101-40-28-81-68(89)109-72(10,11)12/h13-60H2,1-12H3,(H,74,82)(H,75,83)(H,76,84)(H,77,85)(H,78,86)(H,79,87)(H,80,88)(H,81,89)
• InChIKey: RMGVOCJQAUVJRB-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 417.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 72
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1577.95
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate (CID 58011178) is tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCC(=O)NCCCOCCOCC(COCCOCCCNC(=O)CCOCCOCCNC(=O)OC(C)(C)C)(COCCOCCCNC(=O)CCOCCOCCNC(=O)OC(C)(C)C)COCCOCCCNC(=O)CCOCCOCCNC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate?

The InChIKey is RMGVOCJQAUVJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H140N8O28/c1-69(2,3)106-65(86)78-25-37-98-45-41-94-33-17-61(82)74-21-13-29-90-49-53-102-57-73(58-103-54-50-91-30-14-22-75-62(83)18-34-95-42-46-99-38-26-79-66(87)107-70(4,5)6,59-104-55-51-92-31-15-23-76-63(84)19-35-96-43-47-100-39-27-80-67(88)108-71(7,8)9)60-105-56-52-93-32-16-24-77-64(85)20-36-97-44-48-101-40-28-81-68(89)109-72(10,11)12/h13-60H2,1-12H3,(H,74,82)(H,75,83)(H,76,84)(H,77,85)(H,78,86)(H,79,87)(H,80,88)(H,81,89).

What are the key properties of tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate?

tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate has a molecular weight of 1577.95 g/mol, XLogP of 3.92, 72 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 58011178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).