3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide

C14H21NO3 — CID 115138882

IUPAC3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide
SMILESCOc1c(C)cc(N(C)C(=O)CCO)c(C)c1C
InChIInChI=1S/C14H21NO3/c1-9-8-12(15(4)13(17)6-7-16)10(2)11(3)14(9)18-5/h8,16H,6-7H2,1-5H3
InChIKeyYKSDPMLQIZEYKJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.97
Rot. Bonds4

About 3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide

3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide (PubChem CID 115138882) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide
PubChem CID115138882
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide
SMILESCOc1c(C)cc(N(C)C(=O)CCO)c(C)c1C
InChIInChI=1S/C14H21NO3/c1-9-8-12(15(4)13(17)6-7-16)10(2)11(3)14(9)18-5/h8,16H,6-7H2,1-5H3
InChIKeyYKSDPMLQIZEYKJ-UHFFFAOYSA-N
XLogP1.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-N,2,3,5-tetramethylanilino)-2-oxoacetic acid
CID 115141236
3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
CID 115138886
ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate
CID 115257305
N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138956
N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylazetidine-3-carboxamide
CID 115158760
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
3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide
CID 82499843
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138927
N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide
CID 115176827
2-(4-methoxy-N,2,3,5-tetramethylanilino)ethanethiol
CID 115223814

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide?
The IUPAC name of 3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide (CID 115138882) is 3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide?
The canonical SMILES for 3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide is COc1c(C)cc(N(C)C(=O)CCO)c(C)c1C.
What is the InChIKey of 3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide?
The InChIKey is YKSDPMLQIZEYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-8-12(15(4)13(17)6-7-16)10(2)11(3)14(9)18-5/h8,16H,6-7H2,1-5H3.
What are the key properties of 3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide?
3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide is sourced from PubChem (CID 115138882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).