[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate

C20H23NO5 — CID 9272649

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)COc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-3-15-5-9-18(10-6-15)25-14-20(23)26-13-19(22)21-16-7-11-17(12-8-16)24-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyPOMAKATYRMVQED-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.21
Rot. Bonds9

About [2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate

[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate (PubChem CID 9272649) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
PubChem CID9272649
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)COc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-3-15-5-9-18(10-6-15)25-14-20(23)26-13-19(22)21-16-7-11-17(12-8-16)24-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyPOMAKATYRMVQED-UHFFFAOYSA-N
XLogP3.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
CID 7844920
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326799
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7845035
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 71820864
[2-(4-ethylanilino)-2-oxoethyl] 3-(4-ethoxyphenyl)prop-2-enoate
CID 71953242
methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695236
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672077
[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606225

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate (CID 9272649) is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate is CCOc1ccc(NC(=O)COC(=O)COc2ccc(CC)cc2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The InChIKey is POMAKATYRMVQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-15-5-9-18(10-6-15)25-14-20(23)26-13-19(22)21-16-7-11-17(12-8-16)24-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,22).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate has a molecular weight of 357.41 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 9272649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).