2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide

C16H24N2O2 — CID 47313257

IUPAC2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide
SMILESCC(=O)NC(C(=O)N(C)c1ccc(C)cc1C)C(C)C
InChIInChI=1S/C16H24N2O2/c1-10(2)15(17-13(5)19)16(20)18(6)14-8-7-11(3)9-12(14)4/h7-10,15H,1-6H3,(H,17,19)
InChIKeyBQEUTIGMZSKWDI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.43
Rot. Bonds4

About 2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide

2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide (PubChem CID 47313257) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide
PubChem CID47313257
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide
SMILESCC(=O)NC(C(=O)N(C)c1ccc(C)cc1C)C(C)C
InChIInChI=1S/C16H24N2O2/c1-10(2)15(17-13(5)19)16(20)18(6)14-8-7-11(3)9-12(14)4/h7-10,15H,1-6H3,(H,17,19)
InChIKeyBQEUTIGMZSKWDI-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 30796588
2-[(2,4-dimethylphenyl)-methylcarbamoyl]-3-methylbutanoic acid
CID 115186176
2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 18114298
3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-N,2-dimethylpropanamide
CID 76932122
4-[(2-acetamido-3-methylbutanoyl)-methylamino]benzoic acid
CID 104698191
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid
CID 62002129
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
N-(1-cyclopropylideneethyl)-N,2,4-trimethylaniline
CID 145026742
N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide
CID 85397560
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
CID 115187668

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide?
The IUPAC name of 2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide (CID 47313257) is 2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide?
The canonical SMILES for 2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide is CC(=O)NC(C(=O)N(C)c1ccc(C)cc1C)C(C)C.
What is the InChIKey of 2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide?
The InChIKey is BQEUTIGMZSKWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)15(17-13(5)19)16(20)18(6)14-8-7-11(3)9-12(14)4/h7-10,15H,1-6H3,(H,17,19).
What are the key properties of 2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide?
2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 47313257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).