3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide

C18H28N2O2 — CID 113122527

IUPAC3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)C(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-12-10-13(2)17(14(3)11-12)19-16(22)8-9-20(15(4)21)18(5,6)7/h10-11H,8-9H2,1-7H3,(H,19,22)
InChIKeyMHHRFMOUFPJNOD-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.59
Rot. Bonds4

About 3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide

3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 113122527) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID113122527
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)C(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-12-10-13(2)17(14(3)11-12)19-16(22)8-9-20(15(4)21)18(5,6)7/h10-11H,8-9H2,1-7H3,(H,19,22)
InChIKeyMHHRFMOUFPJNOD-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide
CID 113122510
3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide
CID 113122509
3-(N-acetyl-3,4-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113124562
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113125081
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113130374
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113135759
2-[acetyl(propyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113158011
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113134338

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide (CID 113122527) is 3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(C)cc(C)cc1C)C(C)(C)C.
What is the InChIKey of 3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is MHHRFMOUFPJNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12-10-13(2)17(14(3)11-12)19-16(22)8-9-20(15(4)21)18(5,6)7/h10-11H,8-9H2,1-7H3,(H,19,22).
What are the key properties of 3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide?
3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 304.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 113122527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).