2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide

C11H20ClNO2 — CID 58691302

IUPAC2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)COCCCl)CC1
InChIInChI=1S/C11H20ClNO2/c1-9-2-4-10(5-3-9)13-11(14)8-15-7-6-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeySVAPQMSUESUPSK-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.94
Rot. Bonds5

About 2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide

2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide (PubChem CID 58691302) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide
PubChem CID58691302
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)COCCCl)CC1
InChIInChI=1S/C11H20ClNO2/c1-9-2-4-10(5-3-9)13-11(14)8-15-7-6-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeySVAPQMSUESUPSK-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide (CID 58691302) is 2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)COCCCl)CC1.
What is the InChIKey of 2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is SVAPQMSUESUPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-9-2-4-10(5-3-9)13-11(14)8-15-7-6-12/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide?
2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 233.74 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 58691302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).