3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide

C13H19NO2 — CID 115138886

IUPAC3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
SMILESCc1cc(C)c(N(C)C(=O)CCO)cc1C
InChIInChI=1S/C13H19NO2/c1-9-7-11(3)12(8-10(9)2)14(4)13(16)5-6-15/h7-8,15H,5-6H2,1-4H3
InChIKeyOGAKJACVYBHQJL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds3

About 3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide

3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide (PubChem CID 115138886) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
PubChem CID115138886
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
SMILESCc1cc(C)c(N(C)C(=O)CCO)cc1C
InChIInChI=1S/C13H19NO2/c1-9-7-11(3)12(8-10(9)2)14(4)13(16)5-6-15/h7-8,15H,5-6H2,1-4H3
InChIKeyOGAKJACVYBHQJL-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 115138893
2-amino-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
CID 82492268
N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138927
4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide
CID 115157554
3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide
CID 115138882
4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115162942
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265
1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea
CID 115169018
2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
CID 115190193
3-methyl-4-oxo-4-(N,2,4,5-tetramethylanilino)butanoic acid
CID 115164533
N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167704

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide (CID 115138886) is 3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide is Cc1cc(C)c(N(C)C(=O)CCO)cc1C.
What is the InChIKey of 3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide?
The InChIKey is OGAKJACVYBHQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-7-11(3)12(8-10(9)2)14(4)13(16)5-6-15/h7-8,15H,5-6H2,1-4H3.
What are the key properties of 3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide?
3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide is sourced from PubChem (CID 115138886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).