3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide

C22H28N2O2 — CID 113125081

IUPAC3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)c1cccc(C)c1C
InChIInChI=1S/C22H28N2O2/c1-14-12-16(3)22(17(4)13-14)23-21(26)10-11-24(19(6)25)20-9-7-8-15(2)18(20)5/h7-9,12-13H,10-11H2,1-6H3,(H,23,26)
InChIKeyCJECVODIUABABJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.61
Rot. Bonds5

About 3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide

3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 113125081) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID113125081
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)c1cccc(C)c1C
InChIInChI=1S/C22H28N2O2/c1-14-12-16(3)22(17(4)13-14)23-21(26)10-11-24(19(6)25)20-9-7-8-15(2)18(20)5/h7-9,12-13H,10-11H2,1-6H3,(H,23,26)
InChIKeyCJECVODIUABABJ-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113125073
3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113134338
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113130374
3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113125150
3-(N-acetyl-3,4-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113124562
3-(N-acetyl-2,4-dimethylanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113124213
3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113125142
3-(N-acetyl-2,4-dimethylanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113124231
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113130020
3-(N-acetyl-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123621
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113154075
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide (CID 113125081) is 3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)c1cccc(C)c1C.
What is the InChIKey of 3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is CJECVODIUABABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-14-12-16(3)22(17(4)13-14)23-21(26)10-11-24(19(6)25)20-9-7-8-15(2)18(20)5/h7-9,12-13H,10-11H2,1-6H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide?
3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 4.61, 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-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 113125081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).