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

C19H21NO5 — CID 2975656

IUPACmethyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H21NO5/c1-13-8-14(2)10-17(9-13)24-11-18(21)20-15-4-6-16(7-5-15)25-12-19(22)23-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyISQYYDWEIOZVRH-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.87
Rot. Bonds7

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

methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate (PubChem CID 2975656) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
PubChem CID2975656
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H21NO5/c1-13-8-14(2)10-17(9-13)24-11-18(21)20-15-4-6-16(7-5-15)25-12-19(22)23-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyISQYYDWEIOZVRH-UHFFFAOYSA-N
XLogP2.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 55709060
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
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate
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2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235341
2-(3,5-dimethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 7707204
2-(3,5-dimethylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 7478526

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate (CID 2975656) is methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1.
What is the InChIKey of methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate?
The InChIKey is ISQYYDWEIOZVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-13-8-14(2)10-17(9-13)24-11-18(21)20-15-4-6-16(7-5-15)25-12-19(22)23-3/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate?
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate has a molecular weight of 343.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate is sourced from PubChem (CID 2975656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).