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

C57H110N2O11 — CID 166948419

IUPAC2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]propyl 2-(2-methoxyethylamino)acetate
SMILESCCCCCCCC/C=C\CCCCCCCCOCC(COCCOCCOCCOCCOC(=O)CNC(C)COC(=O)CNCCOC)OCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C57H110N2O11/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-66-52-55(68-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)53-67-46-45-64-42-41-63-43-44-65-47-48-69-57(61)50-59-54(3)51-70-56(60)49-58-37-40-62-4/h19-22,54-55,58-59H,5-18,23-53H2,1-4H3/b21-19-,22-20-
InChIKeySZICEBJDWXIJQF-WRBBJXAJSA-N
MW999.51 g/mol
LogP11.83
Rot. Bonds59

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

2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]propyl 2-(2-methoxyethylamino)acetate (PubChem CID 166948419) 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]propyl 2-(2-methoxyethylamino)acetate.

Molecular Properties

Compound Name2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]propyl 2-(2-methoxyethylamino)acetate
PubChem CID166948419
Molecular FormulaC57H110N2O11
Molecular Weight999.51 g/mol
Exact Mass998.81
IUPAC Name2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]propyl 2-(2-methoxyethylamino)acetate
SMILESCCCCCCCC/C=C\CCCCCCCCOCC(COCCOCCOCCOCCOC(=O)CNC(C)COC(=O)CNCCOC)OCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C57H110N2O11/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-66-52-55(68-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)53-67-46-45-64-42-41-63-43-44-65-47-48-69-57(61)50-59-54(3)51-70-56(60)49-58-37-40-62-4/h19-22,54-55,58-59H,5-18,23-53H2,1-4H3/b21-19-,22-20-
InChIKeySZICEBJDWXIJQF-WRBBJXAJSA-N
XLogP11.83
TPSA141.27 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds59
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500999.51
LogP ≤ 511.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]propyl 2-(2-methoxyethylamino)acetate with MolForge

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Related Compounds

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
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
2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl 2-[2-(1-amino-2-methoxyethoxy)ethylamino]acetate
CID 166948476
2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate
CID 170658328
[(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 170658360
2,3-di(tetradecoxy)propyl 2-[4-[3-(methylamino)propylamino]butylamino]acetate
CID 10168816
(Z)-2,3-diamino-N-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 162442712
2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethanol
CID 175432010
2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 101340236
2-(2-methoxyethoxy)ethyl 2-(2-methoxyethylamino)acetate
CID 104563269
[(2S)-2-octadecoxy-3-pentadecanoyloxypropyl] (Z)-hexadec-9-enoate
CID 131754926
[(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-octadecoxypropyl] hexadecanoate
CID 131755697

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]propyl 2-(2-methoxyethylamino)acetate?
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]propyl 2-(2-methoxyethylamino)acetate (CID 166948419) is 2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]propyl 2-(2-methoxyethylamino)acetate.
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]propyl 2-(2-methoxyethylamino)acetate?
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]propyl 2-(2-methoxyethylamino)acetate is CCCCCCCC/C=C\CCCCCCCCOCC(COCCOCCOCCOCCOC(=O)CNC(C)COC(=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]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]propyl 2-(2-methoxyethylamino)acetate?
The InChIKey is SZICEBJDWXIJQF-WRBBJXAJSA-N. The full InChI is InChI=1S/C57H110N2O11/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-66-52-55(68-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)53-67-46-45-64-42-41-63-43-44-65-47-48-69-57(61)50-59-54(3)51-70-56(60)49-58-37-40-62-4/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]propyl 2-(2-methoxyethylamino)acetate?
2-[[2-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]propyl 2-(2-methoxyethylamino)acetate 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]propyl 2-(2-methoxyethylamino)acetate is sourced from PubChem (CID 166948419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).