2-(3-acetylphenoxy)-N-pentan-3-ylacetamide

C15H21NO3 — CID 60626470

IUPAC2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc(C(C)=O)c1
InChIInChI=1S/C15H21NO3/c1-4-13(5-2)16-15(18)10-19-14-8-6-7-12(9-14)11(3)17/h6-9,13H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyDKNRDOLKAPGZME-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.57
Rot. Bonds7

About 2-(3-acetylphenoxy)-N-pentan-3-ylacetamide

2-(3-acetylphenoxy)-N-pentan-3-ylacetamide (PubChem CID 60626470) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
PubChem CID60626470
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc(C(C)=O)c1
InChIInChI=1S/C15H21NO3/c1-4-13(5-2)16-15(18)10-19-14-8-6-7-12(9-14)11(3)17/h6-9,13H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyDKNRDOLKAPGZME-UHFFFAOYSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-acetylphenoxy)-N-pentan-3-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-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 55031831
2-(3-formylphenoxy)-N-pentan-3-ylacetamide
CID 60624295
N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide
CID 50967022
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700
2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170275
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
2-(3-acetylphenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 78798600
1-[3-(2-ethylbutoxy)phenyl]ethanone
CID 82927221
2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide
CID 95788640
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-pentan-3-ylacetamide (CID 60626470) is 2-(3-acetylphenoxy)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1cccc(C(C)=O)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-pentan-3-ylacetamide?
The InChIKey is DKNRDOLKAPGZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-13(5-2)16-15(18)10-19-14-8-6-7-12(9-14)11(3)17/h6-9,13H,4-5,10H2,1-3H3,(H,16,18).
What are the key properties of 2-(3-acetylphenoxy)-N-pentan-3-ylacetamide?
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide has a molecular weight of 263.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-pentan-3-ylacetamide is sourced from PubChem (CID 60626470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).