3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide

C20H24N2O3 — CID 54780793

IUPAC3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(NC(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-14-4-10-18(15(2)12-14)25-13-20(24)22-17-8-5-16(6-9-17)7-11-19(23)21-3/h4-6,8-10,12H,7,11,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLCLREELTICIYLX-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.00
Rot. Bonds7

About 3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide

3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide (PubChem CID 54780793) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
PubChem CID54780793
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(NC(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-14-4-10-18(15(2)12-14)25-13-20(24)22-17-8-5-16(6-9-17)7-11-19(23)21-3/h4-6,8-10,12H,7,11,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLCLREELTICIYLX-UHFFFAOYSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide 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

2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364916
3-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780608
N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17233521
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239246
methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 894367
N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
CID 54780767
2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 5180817
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
3-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 46760362
N-(4-butylphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 19167555
3-[4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]phenyl]propanoic acid
CID 119252301

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide?
The IUPAC name of 3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide (CID 54780793) is 3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide?
The canonical SMILES for 3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide is CNC(=O)CCc1ccc(NC(=O)COc2ccc(C)cc2C)cc1.
What is the InChIKey of 3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide?
The InChIKey is LCLREELTICIYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-4-10-18(15(2)12-14)25-13-20(24)22-17-8-5-16(6-9-17)7-11-19(23)21-3/h4-6,8-10,12H,7,11,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide?
3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide has a molecular weight of 340.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide is sourced from PubChem (CID 54780793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).