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

C18H36N2O8 — CID 135179310

IUPAC2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide
SMILESCNC(=O)COCCOCCCOCCNC(=O)COCCCOCCOC
InChIInChI=1S/C18H36N2O8/c1-19-17(21)15-28-14-13-26-7-3-6-24-10-5-20-18(22)16-27-9-4-8-25-12-11-23-2/h3-16H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGQYCDLQBMGONKM-UHFFFAOYSA-N
MW408.49 g/mol
LogP-0.64
Rot. Bonds21

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

2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide (PubChem CID 135179310) has the molecular formula C18H36N2O8 and a molecular weight of 408.49 g/mol. Its IUPAC name is 2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide
PubChem CID135179310
Molecular FormulaC18H36N2O8
Molecular Weight408.49 g/mol
Exact Mass408.25
IUPAC Name2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide
SMILESCNC(=O)COCCOCCCOCCNC(=O)COCCCOCCOC
InChIInChI=1S/C18H36N2O8/c1-19-17(21)15-28-14-13-26-7-3-6-24-10-5-20-18(22)16-27-9-4-8-25-12-11-23-2/h3-16H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGQYCDLQBMGONKM-UHFFFAOYSA-N
XLogP-0.64
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide?
The IUPAC name of 2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide (CID 135179310) is 2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide is CNC(=O)COCCOCCCOCCNC(=O)COCCCOCCOC.
What is the InChIKey of 2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide?
The InChIKey is GQYCDLQBMGONKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O8/c1-19-17(21)15-28-14-13-26-7-3-6-24-10-5-20-18(22)16-27-9-4-8-25-12-11-23-2/h3-16H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide?
2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide has a molecular weight of 408.49 g/mol, XLogP of -0.64, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide is sourced from PubChem (CID 135179310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).