2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide

C16H22ClNO2 — CID 692216

IUPAC2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)C2CCCCC2)ccc1Cl
InChIInChI=1S/C16H22ClNO2/c1-12-10-14(8-9-15(12)17)20-11-16(19)18(2)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3
InChIKeyVGTHJTOHJMCXDJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide

2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide (PubChem CID 692216) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide
PubChem CID692216
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)C2CCCCC2)ccc1Cl
InChIInChI=1S/C16H22ClNO2/c1-12-10-14(8-9-15(12)17)20-11-16(19)18(2)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3
InChIKeyVGTHJTOHJMCXDJ-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.82
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-methylphenoxy)-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide (CID 692216) is 2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide is Cc1cc(OCC(=O)N(C)C2CCCCC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide?
The InChIKey is VGTHJTOHJMCXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12-10-14(8-9-15(12)17)20-11-16(19)18(2)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide?
2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide has a molecular weight of 295.81 g/mol, XLogP of 3.82, 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-methylphenoxy)-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 692216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).