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

C20H24BrNO3 — CID 9228067

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
SMILESCOc1cc(Br)c(CC(=O)N(C)Cc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C20H24BrNO3/c1-13-6-7-15(14(2)8-13)12-22(3)20(23)10-16-9-18(24-4)19(25-5)11-17(16)21/h6-9,11H,10,12H2,1-5H3
InChIKeyDHPDXRDXMDMZEI-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.28
Rot. Bonds6

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

2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide (PubChem CID 9228067) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
PubChem CID9228067
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
SMILESCOc1cc(Br)c(CC(=O)N(C)Cc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C20H24BrNO3/c1-13-6-7-15(14(2)8-13)12-22(3)20(23)10-16-9-18(24-4)19(25-5)11-17(16)21/h6-9,11H,10,12H2,1-5H3
InChIKeyDHPDXRDXMDMZEI-UHFFFAOYSA-N
XLogP4.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 18117054
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 8870166
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 8872312
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-bromobenzoate
CID 18196850
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7604312
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8873043
N-[(2,4-dimethylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 33045526
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
2-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014357

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide (CID 9228067) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide is COc1cc(Br)c(CC(=O)N(C)Cc2ccc(C)cc2C)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide?
The InChIKey is DHPDXRDXMDMZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-13-6-7-15(14(2)8-13)12-22(3)20(23)10-16-9-18(24-4)19(25-5)11-17(16)21/h6-9,11H,10,12H2,1-5H3.
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide has a molecular weight of 406.32 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 9228067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).