N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide

C13H17NO3 — CID 82037362

IUPACN-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
SMILESCC(=O)c1ccccc1OCCN(C)C(C)=O
InChIInChI=1S/C13H17NO3/c1-10(15)12-6-4-5-7-13(12)17-9-8-14(3)11(2)16/h4-7H,8-9H2,1-3H3
InChIKeyKHLYXMMYLOYMQI-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.75
Rot. Bonds5

About N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide

N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide (PubChem CID 82037362) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
PubChem CID82037362
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
SMILESCC(=O)c1ccccc1OCCN(C)C(C)=O
InChIInChI=1S/C13H17NO3/c1-10(15)12-6-4-5-7-13(12)17-9-8-14(3)11(2)16/h4-7H,8-9H2,1-3H3
InChIKeyKHLYXMMYLOYMQI-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide 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-[2-(2-formylphenoxy)ethyl]-N-methylacetamide
CID 82037026
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
1-[2-[2-[3-hydroxybutyl(methyl)amino]ethoxy]phenyl]ethanone
CID 115665999
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62052597
1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62050829
1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone
CID 115613776
1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
CID 43426605
1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
CID 55125855
1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone
CID 112812852
1-[2-(4-methylpentoxy)phenyl]ethanone
CID 29003187

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide (CID 82037362) is N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide is CC(=O)c1ccccc1OCCN(C)C(C)=O.
What is the InChIKey of N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide?
The InChIKey is KHLYXMMYLOYMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(15)12-6-4-5-7-13(12)17-9-8-14(3)11(2)16/h4-7H,8-9H2,1-3H3.
What are the key properties of N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide?
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide has a molecular weight of 235.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 82037362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).