2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide

C23H41NO4 — CID 11494940

IUPAC2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide
SMILESCCOCCOCCOCCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H41NO4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-24-22(25)18-23-15-19-12-20(16-23)14-21(13-19)17-23/h19-21H,2-18H2,1H3,(H,24,25)
InChIKeyXQMRRQFMWJMVGF-UHFFFAOYSA-N
MW395.58 g/mol
LogP3.95
Rot. Bonds15

About 2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide

2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide (PubChem CID 11494940) has the molecular formula C23H41NO4 and a molecular weight of 395.58 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide
PubChem CID11494940
Molecular FormulaC23H41NO4
Molecular Weight395.58 g/mol
Exact Mass395.30
IUPAC Name2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide
SMILESCCOCCOCCOCCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H41NO4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-24-22(25)18-23-15-19-12-20(16-23)14-21(13-19)17-23/h19-21H,2-18H2,1H3,(H,24,25)
InChIKeyXQMRRQFMWJMVGF-UHFFFAOYSA-N
XLogP3.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide (CID 11494940) is 2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide is CCOCCOCCOCCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide?
The InChIKey is XQMRRQFMWJMVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-24-22(25)18-23-15-19-12-20(16-23)14-21(13-19)17-23/h19-21H,2-18H2,1H3,(H,24,25).
What are the key properties of 2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide?
2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide has a molecular weight of 395.58 g/mol, XLogP of 3.95, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[5-[2-(2-ethoxyethoxy)ethoxy]pentyl]acetamide is sourced from PubChem (CID 11494940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).