methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate

C20H23NO5 — CID 55709060

IUPACmethyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)CCOc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H23NO5/c1-14-10-15(2)12-18(11-14)25-9-8-19(22)21-16-4-6-17(7-5-16)26-13-20(23)24-3/h4-7,10-12H,8-9,13H2,1-3H3,(H,21,22)
InChIKeyCEYBCTNUQZGBHQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.26
Rot. Bonds8

About methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate

methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate (PubChem CID 55709060) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate
PubChem CID55709060
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namemethyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)CCOc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H23NO5/c1-14-10-15(2)12-18(11-14)25-9-8-19(22)21-16-4-6-17(7-5-16)26-13-20(23)24-3/h4-7,10-12H,8-9,13H2,1-3H3,(H,21,22)
InChIKeyCEYBCTNUQZGBHQ-UHFFFAOYSA-N
XLogP3.26
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 46584839
[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl] thiocyanate
CID 17034710
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 18870428
methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 894367
3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55573139
methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
CID 28638031
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 9049177

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate (CID 55709060) is methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)CCOc2cc(C)cc(C)c2)cc1.
What is the InChIKey of methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate?
The InChIKey is CEYBCTNUQZGBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14-10-15(2)12-18(11-14)25-9-8-19(22)21-16-4-6-17(7-5-16)26-13-20(23)24-3/h4-7,10-12H,8-9,13H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate?
methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate has a molecular weight of 357.41 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate is sourced from PubChem (CID 55709060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).