2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate

C57H110N2O11 — CID 166948211

About 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate

2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate (PubChem CID 166948211) has the molecular formula C57H110N2O11 and a molecular weight of 999.51 g/mol. Its IUPAC name is 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate.

Molecular Properties

• Compound Name: 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate
• PubChem CID: 166948211
• Molecular Formula: C57H110N2O11
• Molecular Weight: 999.51 g/mol
• Exact Mass: 998.81
• IUPAC Name: 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate
• SMILES: CCCCCCCC/C=C\CCCCCCCCOCC(COCCOCCOCCOCCOC(=O)CNCCOC(=O)C(C)NCCOC)OCCCCCCCC/C=C\CCCCCCCC
• InChI: InChI=1S/C57H110N2O11/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-66-52-55(68-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)53-67-48-47-64-44-43-63-45-46-65-49-50-69-56(60)51-58-37-42-70-57(61)54(3)59-38-41-62-4/h19-22,54-55,58-59H,5-18,23-53H2,1-4H3/b21-19-,22-20-
• InChIKey: FGODSTNOMKOWCN-WRBBJXAJSA-N
• XLogP: 11.83
• TPSA: 141.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 59
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	999.51
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate?

The IUPAC name of 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate (CID 166948211) is 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate.

What is the SMILES notation for 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate?

The canonical SMILES for 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate is CCCCCCCC/C=C\CCCCCCCCOCC(COCCOCCOCCOCCOC(=O)CNCCOC(=O)C(C)NCCOC)OCCCCCCCC/C=C\CCCCCCCC.

What is the InChIKey of 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate?

The InChIKey is FGODSTNOMKOWCN-WRBBJXAJSA-N. The full InChI is InChI=1S/C57H110N2O11/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-66-52-55(68-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)53-67-48-47-64-44-43-63-45-46-65-49-50-69-56(60)51-58-37-42-70-57(61)54(3)59-38-41-62-4/h19-22,54-55,58-59H,5-18,23-53H2,1-4H3/b21-19-,22-20-.

What are the key properties of 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate?

2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate has a molecular weight of 999.51 g/mol, XLogP of 11.83, 59 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)propanoate is sourced from PubChem (CID 166948211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).