2-(2,4-dimethylphenoxy)-N-ethylacetamide

C12H17NO2 — CID 965411

IUPAC2-(2,4-dimethylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C12H17NO2/c1-4-13-12(14)8-15-11-6-5-9(2)7-10(11)3/h5-7H,4,8H2,1-3H3,(H,13,14)
InChIKeyUIRBAWHAGJQMKO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.82
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-N-ethylacetamide

2-(2,4-dimethylphenoxy)-N-ethylacetamide (PubChem CID 965411) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-ethylacetamide
PubChem CID965411
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(2,4-dimethylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C12H17NO2/c1-4-13-12(14)8-15-11-6-5-9(2)7-10(11)3/h5-7H,4,8H2,1-3H3,(H,13,14)
InChIKeyUIRBAWHAGJQMKO-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dimethylphenoxy)-N-ethylacetamide 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-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
CID 7275245
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide
CID 55203033
2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914299
2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 38427451
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid
CID 43630685

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-ethylacetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-ethylacetamide (CID 965411) is 2-(2,4-dimethylphenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-ethylacetamide is CCNC(=O)COc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-ethylacetamide?
The InChIKey is UIRBAWHAGJQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-13-12(14)8-15-11-6-5-9(2)7-10(11)3/h5-7H,4,8H2,1-3H3,(H,13,14).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-ethylacetamide?
2-(2,4-dimethylphenoxy)-N-ethylacetamide has a molecular weight of 207.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-ethylacetamide is sourced from PubChem (CID 965411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).