2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid

C16H15NO5 — CID 882926

IUPAC2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid
SMILESCOc1ccc(OCC(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H15NO5/c1-21-11-6-8-12(9-7-11)22-10-15(18)17-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyJHCUZGSREIUIPD-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.41
Rot. Bonds6

About 2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid

2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid (PubChem CID 882926) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid
PubChem CID882926
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid
SMILESCOc1ccc(OCC(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H15NO5/c1-21-11-6-8-12(9-7-11)22-10-15(18)17-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyJHCUZGSREIUIPD-UHFFFAOYSA-N
XLogP2.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid (CID 882926) is 2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid is COc1ccc(OCC(=O)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid?
The InChIKey is JHCUZGSREIUIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-21-11-6-8-12(9-7-11)22-10-15(18)17-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid?
2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid has a molecular weight of 301.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 882926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).