N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide

C13H18BrNO3 — CID 113224139

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C13H18BrNO3/c1-9-6-11(14)7-10(2)13(9)15-12(16)8-18-5-4-17-3/h6-7H,4-5,8H2,1-3H3,(H,15,16)
InChIKeySUHIVNDYWOTYBK-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.67
Rot. Bonds6

About N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide

N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide (PubChem CID 113224139) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide
PubChem CID113224139
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C13H18BrNO3/c1-9-6-11(14)7-10(2)13(9)15-12(16)8-18-5-4-17-3/h6-7H,4-5,8H2,1-3H3,(H,15,16)
InChIKeySUHIVNDYWOTYBK-UHFFFAOYSA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
CID 60794685
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 113252047
N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 1326101
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
2-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629929
methyl 2-[[2-(2-aminoethoxy)acetyl]amino]-3,5-dibromobenzoate
CID 79473751
N-(2-amino-4,6-dibromophenyl)-2-methoxyacetamide
CID 61277769
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 103606661
[2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl] 3-methoxybenzoate
CID 126212933
2-(2-methoxyethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 103606715
N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 17201671

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide (CID 113224139) is N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1c(C)cc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is SUHIVNDYWOTYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-9-6-11(14)7-10(2)13(9)15-12(16)8-18-5-4-17-3/h6-7H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 316.20 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 113224139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).