N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide

C14H20BrNO3 — CID 115138956

IUPACN-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide
SMILESCOc1c(C)c(C)c(Br)c(C)c1N(C)C(=O)CCO
InChIInChI=1S/C14H20BrNO3/c1-8-9(2)14(19-5)13(10(3)12(8)15)16(4)11(18)6-7-17/h17H,6-7H2,1-5H3
InChIKeyDSIXPSVEAHNJOJ-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.73
Rot. Bonds4

About N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide

N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide (PubChem CID 115138956) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide
PubChem CID115138956
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC NameN-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide
SMILESCOc1c(C)c(C)c(Br)c(C)c1N(C)C(=O)CCO
InChIInChI=1S/C14H20BrNO3/c1-8-9(2)14(19-5)13(10(3)12(8)15)16(4)11(18)6-7-17/h17H,6-7H2,1-5H3
InChIKeyDSIXPSVEAHNJOJ-UHFFFAOYSA-N
XLogP2.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid
CID 115170804
3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide
CID 115138882
2-(5-bromo-2-methoxy-N,3,4,6-tetramethylanilino)acetaldehyde
CID 115222859
2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylacetohydrazide
CID 116847529
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 116927740
5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
CID 115260712
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-sulfanylethanone
CID 116829936
2-(5-bromo-2-methoxy-3,4,6-trimethylanilino)ethanol
CID 115216070
4-(2-bromo-5-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 11572987
N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline
CID 115207465
2-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methylamino]ethanol
CID 115216219
5-bromo-2-methoxy-N,3,4,6-tetramethylbenzamide
CID 116827649

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide?
The IUPAC name of N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide (CID 115138956) is N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide?
The canonical SMILES for N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide is COc1c(C)c(C)c(Br)c(C)c1N(C)C(=O)CCO.
What is the InChIKey of N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide?
The InChIKey is DSIXPSVEAHNJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-8-9(2)14(19-5)13(10(3)12(8)15)16(4)11(18)6-7-17/h17H,6-7H2,1-5H3.
What are the key properties of N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide?
N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide has a molecular weight of 330.22 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115138956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).