3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide

C21H26N2O2 — CID 113124897

IUPAC3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)ccc1C)c1c(C)cccc1C
InChIInChI=1S/C21H26N2O2/c1-14-9-10-15(2)19(13-14)22-20(25)11-12-23(18(5)24)21-16(3)7-6-8-17(21)4/h6-10,13H,11-12H2,1-5H3,(H,22,25)
InChIKeyMLZNOEGCYMMKFE-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.30
Rot. Bonds5

About 3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide

3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 113124897) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
PubChem CID113124897
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)ccc1C)c1c(C)cccc1C
InChIInChI=1S/C21H26N2O2/c1-14-9-10-15(2)19(13-14)22-20(25)11-12-23(18(5)24)21-16(3)7-6-8-17(21)4/h6-10,13H,11-12H2,1-5H3,(H,22,25)
InChIKeyMLZNOEGCYMMKFE-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

3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113123430
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113131139
3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113127429
methyl 4-[acetyl-[3-(2,5-dimethylanilino)-3-oxopropyl]amino]benzoate
CID 113131529
2-(N-acetyl-2,3-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113168914
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide
CID 113132716
3-(N-acetyl-2,6-dimethylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113124925
3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113126214
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide
CID 113124717
3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide
CID 113124917

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide (CID 113124897) is 3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cc(C)ccc1C)c1c(C)cccc1C.
What is the InChIKey of 3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is MLZNOEGCYMMKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-9-10-15(2)19(13-14)22-20(25)11-12-23(18(5)24)21-16(3)7-6-8-17(21)4/h6-10,13H,11-12H2,1-5H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide?
3-(N-acetyl-2,6-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-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113124897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).