2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide

C15H21NO3 — CID 60701053

IUPAC2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cc(C)ccc1C(C)=O
InChIInChI=1S/C15H21NO3/c1-5-11(3)16-15(18)9-19-14-8-10(2)6-7-13(14)12(4)17/h6-8,11H,5,9H2,1-4H3,(H,16,18)
InChIKeyVZFIRAFQBXPTTD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.49
Rot. Bonds6

About 2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide

2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide (PubChem CID 60701053) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
PubChem CID60701053
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cc(C)ccc1C(C)=O
InChIInChI=1S/C15H21NO3/c1-5-11(3)16-15(18)9-19-14-8-10(2)6-7-13(14)12(4)17/h6-8,11H,5,9H2,1-4H3,(H,16,18)
InChIKeyVZFIRAFQBXPTTD-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-acetyl-5-methylphenoxy)-N-butan-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

2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 60701152
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
2-(2-amino-4-methylphenoxy)-N-butan-2-ylacetamide
CID 61311273
N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639767
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
CID 77003598
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 60627416
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 77003482
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-N-propan-2-ylacetamide
CID 55245922
2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031567
N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611575

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide?
The IUPAC name of 2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide (CID 60701053) is 2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1cc(C)ccc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide?
The InChIKey is VZFIRAFQBXPTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-11(3)16-15(18)9-19-14-8-10(2)6-7-13(14)12(4)17/h6-8,11H,5,9H2,1-4H3,(H,16,18).
What are the key properties of 2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide?
2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide has a molecular weight of 263.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide is sourced from PubChem (CID 60701053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).