2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide

C26H52N2O8S2 — CID 15499688

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide
SMILESCOCCOCCOCC(=O)NCCCCCCSSCCCCCCNC(=O)COCCOCCOC
InChIInChI=1S/C26H52N2O8S2/c1-31-13-15-33-17-19-35-23-25(29)27-11-7-3-5-9-21-37-38-22-10-6-4-8-12-28-26(30)24-36-20-18-34-16-14-32-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyMFLVBYHOJOPYFX-UHFFFAOYSA-N
MW584.84 g/mol
LogP3.08
Rot. Bonds31

About 2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide

2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide (PubChem CID 15499688) has the molecular formula C26H52N2O8S2 and a molecular weight of 584.84 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide
PubChem CID15499688
Molecular FormulaC26H52N2O8S2
Molecular Weight584.84 g/mol
Exact Mass584.32
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide
SMILESCOCCOCCOCC(=O)NCCCCCCSSCCCCCCNC(=O)COCCOCCOC
InChIInChI=1S/C26H52N2O8S2/c1-31-13-15-33-17-19-35-23-25(29)27-11-7-3-5-9-21-37-38-22-10-6-4-8-12-28-26(30)24-36-20-18-34-16-14-32-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyMFLVBYHOJOPYFX-UHFFFAOYSA-N
XLogP3.08
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.84
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide with MolForge

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Related Compounds

2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
N-(5-azidopentyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 121333074
2-(2-aminoethoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79473525
N-[(5S)-5-aminohexyl]-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 172551422
2-methoxy-N-(6-methoxyhexyl)acetamide
CID 177338017
N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane
CID 163400462
2-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 103606873
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-(3-triethoxysilylpropyl)acetamide
CID 71617959
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N'-[2-[2-[[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]butanediamide
CID 50942114
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide (CID 15499688) is 2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide is COCCOCCOCC(=O)NCCCCCCSSCCCCCCNC(=O)COCCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide?
The InChIKey is MFLVBYHOJOPYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O8S2/c1-31-13-15-33-17-19-35-23-25(29)27-11-7-3-5-9-21-37-38-22-10-6-4-8-12-28-26(30)24-36-20-18-34-16-14-32-2/h3-24H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide?
2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide has a molecular weight of 584.84 g/mol, XLogP of 3.08, 31 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide is sourced from PubChem (CID 15499688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).