2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide

C14H19NO3 — CID 112689404

IUPAC2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(C(C)=O)cc1C
InChIInChI=1S/C14H19NO3/c1-5-15(4)14(17)9-18-13-7-6-12(11(3)16)8-10(13)2/h6-8H,5,9H2,1-4H3
InChIKeyXYSYCMNPNARBIY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.05
Rot. Bonds5

About 2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide

2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide (PubChem CID 112689404) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide
PubChem CID112689404
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(C(C)=O)cc1C
InChIInChI=1S/C14H19NO3/c1-5-15(4)14(17)9-18-13-7-6-12(11(3)16)8-10(13)2/h6-8H,5,9H2,1-4H3
InChIKeyXYSYCMNPNARBIY-UHFFFAOYSA-N
XLogP2.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-4-methylbenzoic acid
CID 61379950
2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 60758125
2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 113231478
1-[3-methyl-4-(3-methylbutoxy)phenyl]ethanone
CID 91636342
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-ethyl-N-methylacetamide
CID 62097636
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide
CID 43309787
2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 43309382
2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334574
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide
CID 55188481
1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone
CID 20641435
N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide
CID 107697615
N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide
CID 43309789

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide (CID 112689404) is 2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1ccc(C(C)=O)cc1C.
What is the InChIKey of 2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide?
The InChIKey is XYSYCMNPNARBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-5-15(4)14(17)9-18-13-7-6-12(11(3)16)8-10(13)2/h6-8H,5,9H2,1-4H3.
What are the key properties of 2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide?
2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide has a molecular weight of 249.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 112689404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).