N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide

C13H18BrNO2 — CID 103020703

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C13H18BrNO2/c1-8-6-10(14)7-9(2)11(8)15-12(16)13(3,4)17-5/h6-7H,1-5H3,(H,15,16)
InChIKeyFNBUSYQFVVUZRO-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.43
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide

N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide (PubChem CID 103020703) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide
PubChem CID103020703
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C13H18BrNO2/c1-8-6-10(14)7-9(2)11(8)15-12(16)13(3,4)17-5/h6-7H,1-5H3,(H,15,16)
InChIKeyFNBUSYQFVVUZRO-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-methyl-N-(2,4,6-tribromophenyl)propanamide
CID 103028807
N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide
CID 880666
N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide
CID 104938678
N-(4-bromo-2,6-dimethylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 63681085
N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
CID 60794685
1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894509
N-(4-bromo-2,6-dimethylphenyl)-2-cyano-2-methylbutanamide
CID 113270169
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103708561
N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide
CID 103017832
tert-butyl 4-(4-bromo-2,6-dimethylanilino)-4-oxobutanoate
CID 106706698
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 43163865
5-(4-bromo-2,6-dimethylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47303447

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide (CID 103020703) is N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1c(C)cc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide?
The InChIKey is FNBUSYQFVVUZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-8-6-10(14)7-9(2)11(8)15-12(16)13(3,4)17-5/h6-7H,1-5H3,(H,15,16).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide?
N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide has a molecular weight of 300.20 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103020703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).