3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide

C21H24N2O3 — CID 113124249

IUPAC3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C(C)=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C21H24N2O3/c1-14-8-9-20(15(2)12-14)23(17(4)25)11-10-21(26)22-19-7-5-6-18(13-19)16(3)24/h5-9,12-13H,10-11H2,1-4H3,(H,22,26)
InChIKeyNVFPJNIDBYYQRN-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.89
Rot. Bonds6

About 3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide

3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide (PubChem CID 113124249) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
PubChem CID113124249
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C(C)=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C21H24N2O3/c1-14-8-9-20(15(2)12-14)23(17(4)25)11-10-21(26)22-19-7-5-6-18(13-19)16(3)24/h5-9,12-13H,10-11H2,1-4H3,(H,22,26)
InChIKeyNVFPJNIDBYYQRN-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)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

3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide
CID 113124261
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124234
3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
CID 113133926
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide
CID 113118677
3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide
CID 113128829
3-(N-acetyl-2,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124281
3-(N-acetyl-2,4-dimethylanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113124213
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113124239
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
3-(N-acetyl-4-bromo-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113132763

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide (CID 113124249) is 3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide is CC(=O)c1cccc(NC(=O)CCN(C(C)=O)c2ccc(C)cc2C)c1.
What is the InChIKey of 3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide?
The InChIKey is NVFPJNIDBYYQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-8-9-20(15(2)12-14)23(17(4)25)11-10-21(26)22-19-7-5-6-18(13-19)16(3)24/h5-9,12-13H,10-11H2,1-4H3,(H,22,26).
What are the key properties of 3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide?
3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide is sourced from PubChem (CID 113124249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).