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

C12H15NO3 — CID 24710105

IUPAC2-(3-acetylphenoxy)-N,N-dimethylacetamide
SMILESCC(=O)c1cccc(OCC(=O)N(C)C)c1
InChIInChI=1S/C12H15NO3/c1-9(14)10-5-4-6-11(7-10)16-8-12(15)13(2)3/h4-7H,8H2,1-3H3
InChIKeyIOABPQYQHMAXJL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.36
Rot. Bonds4

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

2-(3-acetylphenoxy)-N,N-dimethylacetamide (PubChem CID 24710105) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N,N-dimethylacetamide
PubChem CID24710105
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(3-acetylphenoxy)-N,N-dimethylacetamide
SMILESCC(=O)c1cccc(OCC(=O)N(C)C)c1
InChIInChI=1S/C12H15NO3/c1-9(14)10-5-4-6-11(7-10)16-8-12(15)13(2)3/h4-7H,8H2,1-3H3
InChIKeyIOABPQYQHMAXJL-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N,N-dimethylacetamide (CID 24710105) is 2-(3-acetylphenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N,N-dimethylacetamide is CC(=O)c1cccc(OCC(=O)N(C)C)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N,N-dimethylacetamide?
The InChIKey is IOABPQYQHMAXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(14)10-5-4-6-11(7-10)16-8-12(15)13(2)3/h4-7H,8H2,1-3H3.
What are the key properties of 2-(3-acetylphenoxy)-N,N-dimethylacetamide?
2-(3-acetylphenoxy)-N,N-dimethylacetamide has a molecular weight of 221.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 24710105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).