2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide

C17H22N2O2 — CID 65470752

IUPAC2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
SMILESCc1cc(C#N)cc(C)c1OCC(=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O2/c1-12-8-14(10-18)9-13(2)17(12)21-11-16(20)19-15-6-4-3-5-7-15/h8-9,15H,3-7,11H2,1-2H3,(H,19,20)
InChIKeyPDFCLIFDGDOGCN-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide

2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide (PubChem CID 65470752) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
PubChem CID65470752
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
SMILESCc1cc(C#N)cc(C)c1OCC(=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O2/c1-12-8-14(10-18)9-13(2)17(12)21-11-16(20)19-15-6-4-3-5-7-15/h8-9,15H,3-7,11H2,1-2H3,(H,19,20)
InChIKeyPDFCLIFDGDOGCN-UHFFFAOYSA-N
XLogP3.00
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
CID 65473029
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
[2-(cyclooctylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24817967
N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 26054636
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide
CID 65472840
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopropyl-N-methylacetamide
CID 65471703
2-(4-cyano-2,6-dimethylphenoxy)acetic acid
CID 65455986
2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 65472856
4-[2-(cyclopropylamino)-2-oxoethoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 82910359
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide (CID 65470752) is 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide is Cc1cc(C#N)cc(C)c1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide?
The InChIKey is PDFCLIFDGDOGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-8-14(10-18)9-13(2)17(12)21-11-16(20)19-15-6-4-3-5-7-15/h8-9,15H,3-7,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide?
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide has a molecular weight of 286.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide is sourced from PubChem (CID 65470752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).