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

C16H20N2O2 — CID 65473029

IUPAC2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
SMILESCc1cc(C#N)cc(C)c1OCC(=O)NC1CCCC1
InChIInChI=1S/C16H20N2O2/c1-11-7-13(9-17)8-12(2)16(11)20-10-15(19)18-14-5-3-4-6-14/h7-8,14H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyDVTGUKLSZPQCBI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.61
Rot. Bonds4

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

2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide (PubChem CID 65473029) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
PubChem CID65473029
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
SMILESCc1cc(C#N)cc(C)c1OCC(=O)NC1CCCC1
InChIInChI=1S/C16H20N2O2/c1-11-7-13(9-17)8-12(2)16(11)20-10-15(19)18-14-5-3-4-6-14/h7-8,14H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyDVTGUKLSZPQCBI-UHFFFAOYSA-N
XLogP2.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 65470752
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
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-(cyclooctylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24817967
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
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide
CID 115960915

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide (CID 65473029) is 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide is Cc1cc(C#N)cc(C)c1OCC(=O)NC1CCCC1.
What is the InChIKey of 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide?
The InChIKey is DVTGUKLSZPQCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-7-13(9-17)8-12(2)16(11)20-10-15(19)18-14-5-3-4-6-14/h7-8,14H,3-6,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide?
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide has a molecular weight of 272.35 g/mol, XLogP of 2.61, 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-cyclopentylacetamide is sourced from PubChem (CID 65473029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).