2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide

C16H22N2O2 — CID 65472856

IUPAC2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cc(C#N)cc(C)c1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H22N2O2/c1-10(2)13(5)18-15(19)9-20-16-11(3)6-14(8-17)7-12(16)4/h6-7,10,13H,9H2,1-5H3,(H,18,19)
InChIKeyHHZJARIRJAHEIP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.71
Rot. Bonds5

About 2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide

2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 65472856) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide
PubChem CID65472856
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cc(C#N)cc(C)c1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H22N2O2/c1-10(2)13(5)18-15(19)9-20-16-11(3)6-14(8-17)7-12(16)4/h6-7,10,13H,9H2,1-5H3,(H,18,19)
InChIKeyHHZJARIRJAHEIP-UHFFFAOYSA-N
XLogP2.71
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 65472855
2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7696271
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide
CID 65472840
2-(4-cyano-2,6-dimethylphenoxy)acetic acid
CID 65455986
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
CID 65473029
2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide
CID 65471325
2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737
N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide
CID 165436416
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 65470752
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283
N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide
CID 42977194
methyl 3-(4-cyano-2,6-dimethylphenoxy)-2,2-dimethylpropanoate
CID 79622459

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide (CID 65472856) is 2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide is Cc1cc(C#N)cc(C)c1OCC(=O)NC(C)C(C)C.
What is the InChIKey of 2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is HHZJARIRJAHEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)13(5)18-15(19)9-20-16-11(3)6-14(8-17)7-12(16)4/h6-7,10,13H,9H2,1-5H3,(H,18,19).
What are the key properties of 2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.71, 5 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 65472856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).