ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate

C23H25NO7 — CID 55318197

IUPACethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)COC(=O)COc1ccc(C(=O)CC)cc1)c1ccccc1
InChIInChI=1S/C23H25NO7/c1-3-20(25)17-10-12-19(13-11-17)30-16-23(28)31-15-21(26)24(14-22(27)29-4-2)18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3
InChIKeyHOZGMPRTRJXMKE-UHFFFAOYSA-N
MW427.45 g/mol
LogP2.80
Rot. Bonds11

About ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate

ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate (PubChem CID 55318197) has the molecular formula C23H25NO7 and a molecular weight of 427.45 g/mol. Its IUPAC name is ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate
PubChem CID55318197
Molecular FormulaC23H25NO7
Molecular Weight427.45 g/mol
Exact Mass427.16
IUPAC Nameethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)COC(=O)COc1ccc(C(=O)CC)cc1)c1ccccc1
InChIInChI=1S/C23H25NO7/c1-3-20(25)17-10-12-19(13-11-17)30-16-23(28)31-15-21(26)24(14-22(27)29-4-2)18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3
InChIKeyHOZGMPRTRJXMKE-UHFFFAOYSA-N
XLogP2.80
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 55305387
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316893
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42976059
N-methyl-N-phenyl-2-(4-propanoylphenoxy)acetamide
CID 78760468
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 55306615
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855024
ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate
CID 30033896
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327946
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate
CID 55324833
[2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404407
[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2365643
[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate
CID 7839590

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate?
The IUPAC name of ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate (CID 55318197) is ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate is CCOC(=O)CN(C(=O)COC(=O)COc1ccc(C(=O)CC)cc1)c1ccccc1.
What is the InChIKey of ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate?
The InChIKey is HOZGMPRTRJXMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO7/c1-3-20(25)17-10-12-19(13-11-17)30-16-23(28)31-15-21(26)24(14-22(27)29-4-2)18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3.
What are the key properties of ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate?
ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate has a molecular weight of 427.45 g/mol, XLogP of 2.80, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-[2-(4-propanoylphenoxy)acetyl]oxyacetyl]anilino)acetate is sourced from PubChem (CID 55318197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).