2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide

C17H24ClNO2 — CID 692214

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)C2CCCCC2)cc(C)c1Cl
InChIInChI=1S/C17H24ClNO2/c1-12-9-15(10-13(2)17(12)18)21-11-16(20)19(3)14-7-5-4-6-8-14/h9-10,14H,4-8,11H2,1-3H3
InChIKeyUKQGYHOLIRSPTK-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.13
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide (PubChem CID 692214) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide
PubChem CID692214
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)C2CCCCC2)cc(C)c1Cl
InChIInChI=1S/C17H24ClNO2/c1-12-9-15(10-13(2)17(12)18)21-11-16(20)19(3)14-7-5-4-6-8-14/h9-10,14H,4-8,11H2,1-3H3
InChIKeyUKQGYHOLIRSPTK-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide (CID 692214) is 2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide is Cc1cc(OCC(=O)N(C)C2CCCCC2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide?
The InChIKey is UKQGYHOLIRSPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-12-9-15(10-13(2)17(12)18)21-11-16(20)19(3)14-7-5-4-6-8-14/h9-10,14H,4-8,11H2,1-3H3.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide has a molecular weight of 309.84 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 692214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).