N-[4-(methylperoxymethyl)cyclohexyl]acetamide

C10H19NO3 — CID 20659441

IUPACN-[4-(methylperoxymethyl)cyclohexyl]acetamide
SMILESCOOCC1CCC(NC(C)=O)CC1
InChIInChI=1S/C10H19NO3/c1-8(12)11-10-5-3-9(4-6-10)7-14-13-2/h9-10H,3-7H2,1-2H3,(H,11,12)
InChIKeyLMNZZCKWYOSGAW-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.26
Rot. Bonds4

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

N-[4-(methylperoxymethyl)cyclohexyl]acetamide (PubChem CID 20659441) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[4-(methylperoxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(methylperoxymethyl)cyclohexyl]acetamide
PubChem CID20659441
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-[4-(methylperoxymethyl)cyclohexyl]acetamide
SMILESCOOCC1CCC(NC(C)=O)CC1
InChIInChI=1S/C10H19NO3/c1-8(12)11-10-5-3-9(4-6-10)7-14-13-2/h9-10H,3-7H2,1-2H3,(H,11,12)
InChIKeyLMNZZCKWYOSGAW-UHFFFAOYSA-N
XLogP1.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(methylperoxymethyl)cyclohexyl]acetamide?
The IUPAC name of N-[4-(methylperoxymethyl)cyclohexyl]acetamide (CID 20659441) is N-[4-(methylperoxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(methylperoxymethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(methylperoxymethyl)cyclohexyl]acetamide is COOCC1CCC(NC(C)=O)CC1.
What is the InChIKey of N-[4-(methylperoxymethyl)cyclohexyl]acetamide?
The InChIKey is LMNZZCKWYOSGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(12)11-10-5-3-9(4-6-10)7-14-13-2/h9-10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-[4-(methylperoxymethyl)cyclohexyl]acetamide?
N-[4-(methylperoxymethyl)cyclohexyl]acetamide has a molecular weight of 201.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylperoxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 20659441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).