2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide

C14H21NO3 — CID 115140161

IUPAC2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide
SMILESCOc1cc(C)c(C)cc1CCN(C)C(=O)CO
InChIInChI=1S/C14H21NO3/c1-10-7-12(13(18-4)8-11(10)2)5-6-15(3)14(17)9-16/h7-8,16H,5-6,9H2,1-4H3
InChIKeyOWHYRSLNPDXRAS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.31
Rot. Bonds5

About 2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide

2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide (PubChem CID 115140161) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide
PubChem CID115140161
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide
SMILESCOc1cc(C)c(C)cc1CCN(C)C(=O)CO
InChIInChI=1S/C14H21NO3/c1-10-7-12(13(18-4)8-11(10)2)5-6-15(3)14(17)9-16/h7-8,16H,5-6,9H2,1-4H3
InChIKeyOWHYRSLNPDXRAS-UHFFFAOYSA-N
XLogP1.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide
CID 115139401
1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea
CID 115169490
2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylcarbamothioic S-acid
CID 115170407
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194111
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139416
N-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-3-sulfanylpropanamide
CID 115167934
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476
1-[(2-methoxy-4,5-dimethylphenyl)methyl]-1-methylurea
CID 115168360
N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide
CID 115140243
N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115261266
N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 115140029
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide (CID 115140161) is 2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide is COc1cc(C)c(C)cc1CCN(C)C(=O)CO.
What is the InChIKey of 2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide?
The InChIKey is OWHYRSLNPDXRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-7-12(13(18-4)8-11(10)2)5-6-15(3)14(17)9-16/h7-8,16H,5-6,9H2,1-4H3.
What are the key properties of 2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide?
2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 115140161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).