[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate

C18H18BrNO5 — CID 40712962

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO5/c1-12-3-8-16(23-2)15(9-12)20-17(21)10-25-18(22)11-24-14-6-4-13(19)5-7-14/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyLNGZVEAZIJEJGM-UHFFFAOYSA-N
MW408.25 g/mol
LogP3.33
Rot. Bonds7

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate (PubChem CID 40712962) has the molecular formula C18H18BrNO5 and a molecular weight of 408.25 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
PubChem CID40712962
Molecular FormulaC18H18BrNO5
Molecular Weight408.25 g/mol
Exact Mass407.04
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO5/c1-12-3-8-16(23-2)15(9-12)20-17(21)10-25-18(22)11-24-14-6-4-13(19)5-7-14/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyLNGZVEAZIJEJGM-UHFFFAOYSA-N
XLogP3.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 40696696
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7578935
4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 2684775
2-[4-(aminomethyl)phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 43822965
2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313
2-(3,5-dimethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7707192
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8597894
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2466756
N-(5-bromo-2-methoxyphenyl)-2-phenoxyacetamide
CID 47317656
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate (CID 40712962) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate is COc1ccc(C)cc1NC(=O)COC(=O)COc1ccc(Br)cc1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The InChIKey is LNGZVEAZIJEJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO5/c1-12-3-8-16(23-2)15(9-12)20-17(21)10-25-18(22)11-24-14-6-4-13(19)5-7-14/h3-9H,10-11H2,1-2H3,(H,20,21).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate has a molecular weight of 408.25 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate is sourced from PubChem (CID 40712962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).