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

C56H106N2O12 — CID 166948438

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

2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)acetate (PubChem CID 166948438) has the molecular formula C56H106N2O12 and a molecular weight of 999.47 g/mol. Its IUPAC name is 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)acetate.

Molecular Properties

• Compound Name: 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)acetate
• PubChem CID: 166948438
• Molecular Formula: C56H106N2O12
• Molecular Weight: 999.47 g/mol
• Exact Mass: 998.77
• IUPAC Name: 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)acetate
• SMILES: CCCCCCCC/C=C\CCCCCCCCOCC(COC(=O)COCCOCCOCCOC(=O)CNCCOC(=O)CNCCOC)OCCCCCCCC/C=C\CCCCCCCC
• InChI: InChI=1S/C56H106N2O12/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-65-50-53(67-39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)51-70-56(61)52-66-45-44-63-42-43-64-46-47-69-55(60)49-58-37-41-68-54(59)48-57-36-40-62-3/h18-21,53,57-58H,4-17,22-52H2,1-3H3/b20-18-,21-19-
• InChIKey: DRPIUXRFUHRPFT-AUYXYSRISA-N
• XLogP: 10.97
• TPSA: 158.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 58
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	999.47
LogP ≤ 5	10.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)acetate?

The IUPAC name of 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)acetate (CID 166948438) is 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)acetate.

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

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

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

The InChIKey is DRPIUXRFUHRPFT-AUYXYSRISA-N. The full InChI is InChI=1S/C56H106N2O12/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-65-50-53(67-39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)51-70-56(61)52-66-45-44-63-42-43-64-46-47-69-55(60)49-58-37-41-68-54(59)48-57-36-40-62-3/h18-21,53,57-58H,4-17,22-52H2,1-3H3/b20-18-,21-19-.

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

2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)acetate has a molecular weight of 999.47 g/mol, XLogP of 10.97, 58 rotatable bonds, 2 hydrogen bond donors, and 14 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]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)acetate is sourced from PubChem (CID 166948438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).