3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide

C21H26N2O2 — CID 113124205

IUPAC3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)ccc1C)c1ccc(C)cc1C
InChIInChI=1S/C21H26N2O2/c1-14-7-9-20(17(4)12-14)23(18(5)24)11-10-21(25)22-19-13-15(2)6-8-16(19)3/h6-9,12-13H,10-11H2,1-5H3,(H,22,25)
InChIKeyIQNXEHQVJNPWGJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.30
Rot. Bonds5

About 3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide

3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 113124205) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
PubChem CID113124205
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)ccc1C)c1ccc(C)cc1C
InChIInChI=1S/C21H26N2O2/c1-14-7-9-20(17(4)12-14)23(18(5)24)11-10-21(25)22-19-13-15(2)6-8-16(19)3/h6-9,12-13H,10-11H2,1-5H3,(H,22,25)
InChIKeyIQNXEHQVJNPWGJ-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113127429
3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113123430
3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124897
3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124234
3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113131139
3-(N-acetyl-2,4-dimethylanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113124231
ethyl 2-[3-(N-acetyl-2,4-dimethylanilino)propanoylamino]benzoate
CID 113124278
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113128529
3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
CID 113124249
3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide
CID 113132716

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide (CID 113124205) is 3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cc(C)ccc1C)c1ccc(C)cc1C.
What is the InChIKey of 3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is IQNXEHQVJNPWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-7-9-20(17(4)12-14)23(18(5)24)11-10-21(25)22-19-13-15(2)6-8-16(19)3/h6-9,12-13H,10-11H2,1-5H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide?
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113124205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).