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

C21H26N2O2 — CID 113125073

IUPAC3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cccc1C)c1cccc(C)c1C
InChIInChI=1S/C21H26N2O2/c1-14-8-7-11-19(17(14)4)23(18(5)24)13-12-20(25)22-21-15(2)9-6-10-16(21)3/h6-11H,12-13H2,1-5H3,(H,22,25)
InChIKeyWGEFFFLTRBSHDJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.30
Rot. Bonds5

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

3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide (PubChem CID 113125073) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
PubChem CID113125073
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cccc1C)c1cccc(C)c1C
InChIInChI=1S/C21H26N2O2/c1-14-8-7-11-19(17(14)4)23(18(5)24)13-12-20(25)22-21-15(2)9-6-10-16(21)3/h6-11H,12-13H2,1-5H3,(H,22,25)
InChIKeyWGEFFFLTRBSHDJ-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-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113125081
3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113125150
3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113127103
3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113125142
3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113134338
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-(N-acetyl-2,4-dimethylanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113124213
3-(N-acetyl-2-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113126445
ethyl 2-[acetyl-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]amino]benzoate
CID 113134622
3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113125018
3-(N-acetyl-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123621
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide (CID 113125073) is 3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(C)cccc1C)c1cccc(C)c1C.
What is the InChIKey of 3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is WGEFFFLTRBSHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-8-7-11-19(17(14)4)23(18(5)24)13-12-20(25)22-21-15(2)9-6-10-16(21)3/h6-11H,12-13H2,1-5H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide?
3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-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-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 113125073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).