3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide

C21H26N2O3 — CID 7918580

IUPAC3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-15-6-9-18(10-7-15)22-20(24)14-23(4)21(25)11-12-26-19-13-16(2)5-8-17(19)3/h5-10,13H,11-12,14H2,1-4H3,(H,22,24)
InChIKeyTWHUBBQTRYEFMG-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.48
Rot. Bonds7

About 3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide

3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide (PubChem CID 7918580) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
PubChem CID7918580
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-15-6-9-18(10-7-15)22-20(24)14-23(4)21(25)11-12-26-19-13-16(2)5-8-17(19)3/h5-10,13H,11-12,14H2,1-4H3,(H,22,24)
InChIKeyTWHUBBQTRYEFMG-UHFFFAOYSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide 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-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)-N-methylpropanamide
CID 9114741
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849
4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide
CID 9494110
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 42369765
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672
methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
CID 61243938
2-[5-(2,5-dimethylphenoxy)pentanoyl-methylamino]acetic acid
CID 119172218
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7551228
3-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9374487
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9440975

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide (CID 7918580) is 3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide is Cc1ccc(NC(=O)CN(C)C(=O)CCOc2cc(C)ccc2C)cc1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?
The InChIKey is TWHUBBQTRYEFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-6-9-18(10-7-15)22-20(24)14-23(4)21(25)11-12-26-19-13-16(2)5-8-17(19)3/h5-10,13H,11-12,14H2,1-4H3,(H,22,24).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?
3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 7918580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).