2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide

C20H35NO6 — CID 164777208

IUPAC2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
SMILESCCOCCOCCOCCOCCNC(=O)COC1C#CCCCCC1
InChIInChI=1S/C20H35NO6/c1-2-23-12-13-25-16-17-26-15-14-24-11-10-21-20(22)18-27-19-8-6-4-3-5-7-9-19/h19H,2-6,8,10-18H2,1H3,(H,21,22)
InChIKeySZHWLBRZDRUVME-UHFFFAOYSA-N
MW385.50 g/mol
LogP1.54
Rot. Bonds16

About 2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide

2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 164777208) has the molecular formula C20H35NO6 and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
PubChem CID164777208
Molecular FormulaC20H35NO6
Molecular Weight385.50 g/mol
Exact Mass385.25
IUPAC Name2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
SMILESCCOCCOCCOCCOCCNC(=O)COC1C#CCCCCC1
InChIInChI=1S/C20H35NO6/c1-2-23-12-13-25-16-17-26-15-14-24-11-10-21-20(22)18-27-19-8-6-4-3-5-7-9-19/h19H,2-6,8,10-18H2,1H3,(H,21,22)
InChIKeySZHWLBRZDRUVME-UHFFFAOYSA-N
XLogP1.54
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide (CID 164777208) is 2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide is CCOCCOCCOCCOCCNC(=O)COC1C#CCCCCC1.
What is the InChIKey of 2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is SZHWLBRZDRUVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO6/c1-2-23-12-13-25-16-17-26-15-14-24-11-10-21-20(22)18-27-19-8-6-4-3-5-7-9-19/h19H,2-6,8,10-18H2,1H3,(H,21,22).
What are the key properties of 2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 385.50 g/mol, XLogP of 1.54, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 164777208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).