2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide

C15H23NO2 — CID 50945244

IUPAC2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1cccc(C)c1C
InChIInChI=1S/C15H23NO2/c1-5-7-12(3)16-15(17)10-18-14-9-6-8-11(2)13(14)4/h6,8-9,12H,5,7,10H2,1-4H3,(H,16,17)
InChIKeyCHJGQYHAUPDIST-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.99
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide

2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide (PubChem CID 50945244) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
PubChem CID50945244
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1cccc(C)c1C
InChIInChI=1S/C15H23NO2/c1-5-7-12(3)16-15(17)10-18-14-9-6-8-11(2)13(14)4/h6,8-9,12H,5,7,10H2,1-4H3,(H,16,17)
InChIKeyCHJGQYHAUPDIST-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide 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

N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid
CID 82845745
2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132651176
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoate
CID 9156871
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide
CID 114764380
2-(2,3-dimethylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 132650068
(2S,3R)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964954
2-(2,3-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326921

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide (CID 50945244) is 2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide?
The InChIKey is CHJGQYHAUPDIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-7-12(3)16-15(17)10-18-14-9-6-8-11(2)13(14)4/h6,8-9,12H,5,7,10H2,1-4H3,(H,16,17).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide?
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide has a molecular weight of 249.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide is sourced from PubChem (CID 50945244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).