ethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate

C18H19NO5 — CID 661259

IUPACethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1
InChIInChI=1S/C18H19NO5/c1-3-23-18(21)13-8-10-14(11-9-13)19-17(20)12-24-16-7-5-4-6-15(16)22-2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyAHNAYKOKHDHSNQ-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.89
Rot. Bonds7

About ethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate

ethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate (PubChem CID 661259) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is ethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
PubChem CID661259
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Nameethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1
InChIInChI=1S/C18H19NO5/c1-3-23-18(21)13-8-10-14(11-9-13)19-17(20)12-24-16-7-5-4-6-15(16)22-2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyAHNAYKOKHDHSNQ-UHFFFAOYSA-N
XLogP2.89
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate (CID 661259) is ethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1.
What is the InChIKey of ethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate?
The InChIKey is AHNAYKOKHDHSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-3-23-18(21)13-8-10-14(11-9-13)19-17(20)12-24-16-7-5-4-6-15(16)22-2/h4-11H,3,12H2,1-2H3,(H,19,20).
What are the key properties of ethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate?
ethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate has a molecular weight of 329.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 661259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).