N-[4-(ethylperoxymethyl)cyclohexyl]acetamide

C11H21NO3 — CID 59941935

IUPACN-[4-(ethylperoxymethyl)cyclohexyl]acetamide
SMILESCCOOCC1CCC(NC(C)=O)CC1
InChIInChI=1S/C11H21NO3/c1-3-14-15-8-10-4-6-11(7-5-10)12-9(2)13/h10-11H,3-8H2,1-2H3,(H,12,13)
InChIKeyXCNIAGZTFHXDRY-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds5

About N-[4-(ethylperoxymethyl)cyclohexyl]acetamide

N-[4-(ethylperoxymethyl)cyclohexyl]acetamide (PubChem CID 59941935) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-[4-(ethylperoxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(ethylperoxymethyl)cyclohexyl]acetamide
PubChem CID59941935
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-[4-(ethylperoxymethyl)cyclohexyl]acetamide
SMILESCCOOCC1CCC(NC(C)=O)CC1
InChIInChI=1S/C11H21NO3/c1-3-14-15-8-10-4-6-11(7-5-10)12-9(2)13/h10-11H,3-8H2,1-2H3,(H,12,13)
InChIKeyXCNIAGZTFHXDRY-UHFFFAOYSA-N
XLogP1.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylperoxymethyl)cyclohexyl]acetamide?
The IUPAC name of N-[4-(ethylperoxymethyl)cyclohexyl]acetamide (CID 59941935) is N-[4-(ethylperoxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(ethylperoxymethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(ethylperoxymethyl)cyclohexyl]acetamide is CCOOCC1CCC(NC(C)=O)CC1.
What is the InChIKey of N-[4-(ethylperoxymethyl)cyclohexyl]acetamide?
The InChIKey is XCNIAGZTFHXDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-14-15-8-10-4-6-11(7-5-10)12-9(2)13/h10-11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-[4-(ethylperoxymethyl)cyclohexyl]acetamide?
N-[4-(ethylperoxymethyl)cyclohexyl]acetamide has a molecular weight of 215.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylperoxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 59941935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).