3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide

C20H24N2O2 — CID 113124546

IUPAC3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O2/c1-14-5-8-18(9-6-14)21-20(24)11-12-22(17(4)23)19-10-7-15(2)16(3)13-19/h5-10,13H,11-12H2,1-4H3,(H,21,24)
InChIKeyGLMCZISOVYBMMQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.99
Rot. Bonds5

About 3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide

3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide (PubChem CID 113124546) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
PubChem CID113124546
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O2/c1-14-5-8-18(9-6-14)21-20(24)11-12-22(17(4)23)19-10-7-15(2)16(3)13-19/h5-10,13H,11-12H2,1-4H3,(H,21,24)
InChIKeyGLMCZISOVYBMMQ-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124580
3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124627
3-(N-acetyl-3,4-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113124562
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide
CID 113131889
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-methylphenyl)propanamide
CID 113132890
3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113131139
3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113125417
methyl 4-[acetyl-[3-(4-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131524
3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide
CID 113128077
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113128420
3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 113123875

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide (CID 113124546) is 3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of 3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is GLMCZISOVYBMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-5-8-18(9-6-14)21-20(24)11-12-22(17(4)23)19-10-7-15(2)16(3)13-19/h5-10,13H,11-12H2,1-4H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide?
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide has a molecular weight of 324.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 113124546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).