2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide

C13H19NO2 — CID 91457472

IUPAC2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide
SMILESCCC(O)(C(=O)NC)c1ccc(C)cc1C
InChIInChI=1S/C13H19NO2/c1-5-13(16,12(15)14-4)11-7-6-9(2)8-10(11)3/h6-8,16H,5H2,1-4H3,(H,14,15)
InChIKeyUMDURULNIMWOQS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.65
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide

2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide (PubChem CID 91457472) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide
PubChem CID91457472
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide
SMILESCCC(O)(C(=O)NC)c1ccc(C)cc1C
InChIInChI=1S/C13H19NO2/c1-5-13(16,12(15)14-4)11-7-6-9(2)8-10(11)3/h6-8,16H,5H2,1-4H3,(H,14,15)
InChIKeyUMDURULNIMWOQS-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(2,4-dimethylphenyl)butan-2-ol
CID 79002052
1-(1,1-difluoropropyl)-2,4-dimethylbenzene
CID 116841228
1-cyclopropyl-1-(2,4-dimethylphenyl)propan-1-ol
CID 64919325
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
2-(2,4-dimethylphenyl)-2-hydroxypropanal
CID 66040527
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191406
3-(2,4-dimethylphenyl)-3-methylbutan-2-one;ethane;propan-1-ol
CID 143994165
3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 113278332
3-(2,4-dimethylphenyl)-3-(ethylamino)butanamide
CID 65234113
methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate
CID 105464025
2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol
CID 82040151
ethyl 3-amino-3-(2,4-dimethylphenyl)butanoate
CID 79848686

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide (CID 91457472) is 2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide is CCC(O)(C(=O)NC)c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide?
The InChIKey is UMDURULNIMWOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-13(16,12(15)14-4)11-7-6-9(2)8-10(11)3/h6-8,16H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide?
2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide is sourced from PubChem (CID 91457472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).