2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide

C21H41N3O10 — CID 88940365

IUPAC2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide
SMILESCNC(=O)COCCCOCCNC(=O)COCCOCCNC(=O)COCCOCCOC
InChIInChI=1S/C21H41N3O10/c1-22-19(25)16-32-7-3-6-29-8-4-23-20(26)17-33-14-12-30-9-5-24-21(27)18-34-15-13-31-11-10-28-2/h3-18H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyWQHVSOJRYPEHJP-UHFFFAOYSA-N
MW495.57 g/mol
LogP-1.90
Rot. Bonds25

About 2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide

2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide (PubChem CID 88940365) has the molecular formula C21H41N3O10 and a molecular weight of 495.57 g/mol. Its IUPAC name is 2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide
PubChem CID88940365
Molecular FormulaC21H41N3O10
Molecular Weight495.57 g/mol
Exact Mass495.28
IUPAC Name2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide
SMILESCNC(=O)COCCCOCCNC(=O)COCCOCCNC(=O)COCCOCCOC
InChIInChI=1S/C21H41N3O10/c1-22-19(25)16-32-7-3-6-29-8-4-23-20(26)17-33-14-12-30-9-5-24-21(27)18-34-15-13-31-11-10-28-2/h3-18H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyWQHVSOJRYPEHJP-UHFFFAOYSA-N
XLogP-1.90
TPSA151.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide?
The IUPAC name of 2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide (CID 88940365) is 2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide is CNC(=O)COCCCOCCNC(=O)COCCOCCNC(=O)COCCOCCOC.
What is the InChIKey of 2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide?
The InChIKey is WQHVSOJRYPEHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O10/c1-22-19(25)16-32-7-3-6-29-8-4-23-20(26)17-33-14-12-30-9-5-24-21(27)18-34-15-13-31-11-10-28-2/h3-18H2,1-2H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide?
2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide has a molecular weight of 495.57 g/mol, XLogP of -1.90, 25 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide is sourced from PubChem (CID 88940365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).