3-(2-acetylphenoxy)-N,N-dimethylpropanamide

C13H17NO3 — CID 54879002

IUPAC3-(2-acetylphenoxy)-N,N-dimethylpropanamide
SMILESCC(=O)c1ccccc1OCCC(=O)N(C)C
InChIInChI=1S/C13H17NO3/c1-10(15)11-6-4-5-7-12(11)17-9-8-13(16)14(2)3/h4-7H,8-9H2,1-3H3
InChIKeyKHRPBDFUAKHGCK-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.75
Rot. Bonds5

About 3-(2-acetylphenoxy)-N,N-dimethylpropanamide

3-(2-acetylphenoxy)-N,N-dimethylpropanamide (PubChem CID 54879002) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(2-acetylphenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-acetylphenoxy)-N,N-dimethylpropanamide
PubChem CID54879002
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(2-acetylphenoxy)-N,N-dimethylpropanamide
SMILESCC(=O)c1ccccc1OCCC(=O)N(C)C
InChIInChI=1S/C13H17NO3/c1-10(15)11-6-4-5-7-12(11)17-9-8-13(16)14(2)3/h4-7H,8-9H2,1-3H3
InChIKeyKHRPBDFUAKHGCK-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 3-(2-acetylphenoxy)-N,N-dimethylpropanamide 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-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019
4-(2-acetylphenoxy)-N-methylbutanamide
CID 63890995
1-[2-(4-methylpentoxy)phenyl]ethanone
CID 29003187
1-[2-(8-aminooctoxy)phenyl]ethanone
CID 142412134
N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide
CID 54879203
1-[2-(4,4,4-trifluorobutoxy)phenyl]ethanone
CID 115513987
3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
CID 54879106
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
1-[2-[2-[3-hydroxybutyl(methyl)amino]ethoxy]phenyl]ethanone
CID 115665999
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetylphenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2-acetylphenoxy)-N,N-dimethylpropanamide (CID 54879002) is 3-(2-acetylphenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2-acetylphenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2-acetylphenoxy)-N,N-dimethylpropanamide is CC(=O)c1ccccc1OCCC(=O)N(C)C.
What is the InChIKey of 3-(2-acetylphenoxy)-N,N-dimethylpropanamide?
The InChIKey is KHRPBDFUAKHGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(15)11-6-4-5-7-12(11)17-9-8-13(16)14(2)3/h4-7H,8-9H2,1-3H3.
What are the key properties of 3-(2-acetylphenoxy)-N,N-dimethylpropanamide?
3-(2-acetylphenoxy)-N,N-dimethylpropanamide 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 3-(2-acetylphenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 54879002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).