2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide

C18H20BrNO4 — CID 7930574

IUPAC2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)COc2cccc(Br)c2)c(OC)c1
InChIInChI=1S/C18H20BrNO4/c1-20(11-13-7-8-15(22-2)10-17(13)23-3)18(21)12-24-16-6-4-5-14(19)9-16/h4-10H,11-12H2,1-3H3
InChIKeyAOIHIGDVMCADIF-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.50
Rot. Bonds7

About 2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide

2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 7930574) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
PubChem CID7930574
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)COc2cccc(Br)c2)c(OC)c1
InChIInChI=1S/C18H20BrNO4/c1-20(11-13-7-8-15(22-2)10-17(13)23-3)18(21)12-24-16-6-4-5-14(19)9-16/h4-10H,11-12H2,1-3H3
InChIKeyAOIHIGDVMCADIF-UHFFFAOYSA-N
XLogP3.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 36999617
N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616521
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 55368172
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694899
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 112790479
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide (CID 7930574) is 2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)COc2cccc(Br)c2)c(OC)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is AOIHIGDVMCADIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-20(11-13-7-8-15(22-2)10-17(13)23-3)18(21)12-24-16-6-4-5-14(19)9-16/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide?
2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 394.27 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 7930574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).