N-(2,6-dimethylphenyl)-3-hydroxypropanamide

C11H15NO2 — CID 82112001

IUPACN-(2,6-dimethylphenyl)-3-hydroxypropanamide
SMILESCc1cccc(C)c1NC(=O)CCO
InChIInChI=1S/C11H15NO2/c1-8-4-3-5-9(2)11(8)12-10(14)6-7-13/h3-5,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyKTFDFQUFPAMBEX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.62
Rot. Bonds3

About N-(2,6-dimethylphenyl)-3-hydroxypropanamide

N-(2,6-dimethylphenyl)-3-hydroxypropanamide (PubChem CID 82112001) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-hydroxypropanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-hydroxypropanamide
PubChem CID82112001
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-(2,6-dimethylphenyl)-3-hydroxypropanamide
SMILESCc1cccc(C)c1NC(=O)CCO
InChIInChI=1S/C11H15NO2/c1-8-4-3-5-9(2)11(8)12-10(14)6-7-13/h3-5,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyKTFDFQUFPAMBEX-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858
N-(2,6-dimethylphenyl)-3-(propylamino)propanamide
CID 59981693
N'-(2,6-dimethylphenyl)-N-propylbutanediamide
CID 71979821
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155095
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 113138157
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
N-(2,6-dimethylphenyl)but-3-enamide
CID 90820575

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-hydroxypropanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-hydroxypropanamide (CID 82112001) is N-(2,6-dimethylphenyl)-3-hydroxypropanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-hydroxypropanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-hydroxypropanamide is Cc1cccc(C)c1NC(=O)CCO.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-hydroxypropanamide?
The InChIKey is KTFDFQUFPAMBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-4-3-5-9(2)11(8)12-10(14)6-7-13/h3-5,13H,6-7H2,1-2H3,(H,12,14).
What are the key properties of N-(2,6-dimethylphenyl)-3-hydroxypropanamide?
N-(2,6-dimethylphenyl)-3-hydroxypropanamide has a molecular weight of 193.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-hydroxypropanamide is sourced from PubChem (CID 82112001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).