2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide

C18H20BrNO4 — CID 19175722

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1OC
InChIInChI=1S/C18H20BrNO4/c1-11-7-13(19)8-12(2)18(11)24-10-17(21)20-14-5-6-15(22-3)16(9-14)23-4/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyYDVXDXYOYRQGBR-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.10
Rot. Bonds6

About 2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide

2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 19175722) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID19175722
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1OC
InChIInChI=1S/C18H20BrNO4/c1-11-7-13(19)8-12(2)18(11)24-10-17(21)20-14-5-6-15(22-3)16(9-14)23-4/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyYDVXDXYOYRQGBR-UHFFFAOYSA-N
XLogP4.10
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichloro-6-methylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 1348476
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 19180419
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19201755
ethyl 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]benzoate
CID 3337210
N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 17201671
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17097648
N-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yloxyacetamide
CID 121086700
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3335187
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide (CID 19175722) is 2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1OC.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is YDVXDXYOYRQGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-11-7-13(19)8-12(2)18(11)24-10-17(21)20-14-5-6-15(22-3)16(9-14)23-4/h5-9H,10H2,1-4H3,(H,20,21).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 394.27 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 19175722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).