2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide

C20H24BrNO4 — CID 92674939

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)COc2cc(C)c(Br)c(C)c2)cc1OC
InChIInChI=1S/C20H24BrNO4/c1-13-8-16(9-14(2)20(13)21)26-12-19(23)22(3)11-15-6-7-17(24-4)18(10-15)25-5/h6-10H,11-12H2,1-5H3
InChIKeyLZWSFQPCJHHLQE-UHFFFAOYSA-N
MW422.32 g/mol
LogP4.12
Rot. Bonds7

About 2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide

2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 92674939) has the molecular formula C20H24BrNO4 and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
PubChem CID92674939
Molecular FormulaC20H24BrNO4
Molecular Weight422.32 g/mol
Exact Mass421.09
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)COc2cc(C)c(Br)c(C)c2)cc1OC
InChIInChI=1S/C20H24BrNO4/c1-13-8-16(9-14(2)20(13)21)26-12-19(23)22(3)11-15-6-7-17(24-4)18(10-15)25-5/h6-10H,11-12H2,1-5H3
InChIKeyLZWSFQPCJHHLQE-UHFFFAOYSA-N
XLogP4.12
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate
CID 7965611
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide
CID 4842945
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 9416450
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
5-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735666
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 78796591
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60937433
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylpropanamide
CID 100530576

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide (CID 92674939) is 2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)COc2cc(C)c(Br)c(C)c2)cc1OC.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is LZWSFQPCJHHLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-13-8-16(9-14(2)20(13)21)26-12-19(23)22(3)11-15-6-7-17(24-4)18(10-15)25-5/h6-10H,11-12H2,1-5H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 422.32 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 92674939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).