ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide

C107H232IN8O19SSi6+ — CID 159975132

IUPACethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide
SMILESCCCNC(=O)CCCCCCCCCC[Si](C)(C)OC.CCOC(=O)CNC(=O)CCCCCCCCCC[Si](C)(C)OC.CO[Si](C)(C)CCCCCCCCCCC(=O)NCC(=O)O.CO[Si](C)(C)CCCCCCCCCCC(=O)NCCC[N+](C)(C)C.CO[Si](C)(C)CCCCCCCCCCC(=O)NCCC[N+](C)(C)C.CO[Si](C)(C)CCCCCCCCCCC(=O)NCCS(=O)(=O)O.[I-]
InChIInChI=1S/2C20H44N2O2Si.C18H37NO4Si.C17H37NO2Si.C16H35NO5SSi.C16H33NO4Si.HI/c2*1-22(2,3)18-15-17-21-20(23)16-13-11-9-7-8-10-12-14-19-25(5,6)24-4;1-5-23-18(21)16-19-17(20)14-12-10-8-6-7-9-11-13-15-24(3,4)22-2;1-5-15-18-17(19)14-12-10-8-6-7-9-11-13-16-21(3,4)20-2;1-22-24(2,3)15-11-9-7-5-4-6-8-10-12-16(18)17-13-14-23(19,20)21;1-21-22(2,3)13-11-9-7-5-4-6-8-10-12-15(18)17-14-16(19)20;/h2*7-19H2,1-6H3;5-16H2,1-4H3,(H,19,20);5-16H2,1-4H3,(H,18,19);4-15H2,1-3H3,(H,17,18)(H,19,20,21);4-14H2,1-3H3,(H,17,18)(H,19,20);1H/p+1
InChIKeyHWMXQNPSQYEMHR-UHFFFAOYSA-O
MW2262.56 g/mol
LogP21.93
Rot. Bonds90

About ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide

ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide (PubChem CID 159975132) has the molecular formula C107H232IN8O19SSi6+ and a molecular weight of 2262.56 g/mol. Its IUPAC name is ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide.

Molecular Properties

Compound Nameethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide
PubChem CID159975132
Molecular FormulaC107H232IN8O19SSi6+
Molecular Weight2262.56 g/mol
Exact Mass2260.48
IUPAC Nameethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide
SMILESCCCNC(=O)CCCCCCCCCC[Si](C)(C)OC.CCOC(=O)CNC(=O)CCCCCCCCCC[Si](C)(C)OC.CO[Si](C)(C)CCCCCCCCCCC(=O)NCC(=O)O.CO[Si](C)(C)CCCCCCCCCCC(=O)NCCC[N+](C)(C)C.CO[Si](C)(C)CCCCCCCCCCC(=O)NCCC[N+](C)(C)C.CO[Si](C)(C)CCCCCCCCCCC(=O)NCCS(=O)(=O)O.[I-]
InChIInChI=1S/2C20H44N2O2Si.C18H37NO4Si.C17H37NO2Si.C16H35NO5SSi.C16H33NO4Si.HI/c2*1-22(2,3)18-15-17-21-20(23)16-13-11-9-7-8-10-12-14-19-25(5,6)24-4;1-5-23-18(21)16-19-17(20)14-12-10-8-6-7-9-11-13-15-24(3,4)22-2;1-5-15-18-17(19)14-12-10-8-6-7-9-11-13-16-21(3,4)20-2;1-22-24(2,3)15-11-9-7-5-4-6-8-10-12-16(18)17-13-14-23(19,20)21;1-21-22(2,3)13-11-9-7-5-4-6-8-10-12-15(18)17-14-16(19)20;/h2*7-19H2,1-6H3;5-16H2,1-4H3,(H,19,20);5-16H2,1-4H3,(H,18,19);4-15H2,1-3H3,(H,17,18)(H,19,20,21);4-14H2,1-3H3,(H,17,18)(H,19,20);1H/p+1
InChIKeyHWMXQNPSQYEMHR-UHFFFAOYSA-O
XLogP21.93
TPSA347.95 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds90
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002262.56
LogP ≤ 521.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide with MolForge

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Related Compounds

3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide
CID 11670562
dimethyl-[3-(pentadecanoylamino)propyl]-(3-sulfopropyl)azanium
CID 101277874
trimethyl-[3-(octadecanoylamino)propyl]azanium chloride
CID 3015139
2-(hexanoylamino)ethanesulfonic acid
CID 2245940
[15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium
CID 161078508
N-ethyl-11-[methoxy(dimethyl)silyl]undecanamide
CID 59782510
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184
ethyl 2-(pentanoylamino)acetate
CID 4279931
trimethyl-[3-[[(E)-octadec-9-enoyl]amino]propyl]azanium
CID 6437413
2-[[(Z)-octadec-9-enoyl]amino]ethanesulfonic acid
CID 6437033
2-(tetracos-15-enoylamino)ethanesulfonic acid
CID 53394525
3-(octanoylamino)propane-1-sulfonic acid
CID 101283667

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide?
The IUPAC name of ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide (CID 159975132) is ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide.
What is the SMILES notation for ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide?
The canonical SMILES for ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide is CCCNC(=O)CCCCCCCCCC[Si](C)(C)OC.CCOC(=O)CNC(=O)CCCCCCCCCC[Si](C)(C)OC.CO[Si](C)(C)CCCCCCCCCCC(=O)NCC(=O)O.CO[Si](C)(C)CCCCCCCCCCC(=O)NCCC[N+](C)(C)C.CO[Si](C)(C)CCCCCCCCCCC(=O)NCCC[N+](C)(C)C.CO[Si](C)(C)CCCCCCCCCCC(=O)NCCS(=O)(=O)O.[I-].
What is the InChIKey of ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide?
The InChIKey is HWMXQNPSQYEMHR-UHFFFAOYSA-O. The full InChI is InChI=1S/2C20H44N2O2Si.C18H37NO4Si.C17H37NO2Si.C16H35NO5SSi.C16H33NO4Si.HI/c2*1-22(2,3)18-15-17-21-20(23)16-13-11-9-7-8-10-12-14-19-25(5,6)24-4;1-5-23-18(21)16-19-17(20)14-12-10-8-6-7-9-11-13-15-24(3,4)22-2;1-5-15-18-17(19)14-12-10-8-6-7-9-11-13-16-21(3,4)20-2;1-22-24(2,3)15-11-9-7-5-4-6-8-10-12-16(18)17-13-14-23(19,20)21;1-21-22(2,3)13-11-9-7-5-4-6-8-10-12-15(18)17-14-16(19)20;/h2*7-19H2,1-6H3;5-16H2,1-4H3,(H,19,20);5-16H2,1-4H3,(H,18,19);4-15H2,1-3H3,(H,17,18)(H,19,20,21);4-14H2,1-3H3,(H,17,18)(H,19,20);1H/p+1.
What are the key properties of ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide?
ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide has a molecular weight of 2262.56 g/mol, XLogP of 21.93, 90 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide is sourced from PubChem (CID 159975132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).