4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid

C19H21NO5 — CID 45347313

IUPAC4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid
SMILESCOc1cc(C)ccc1OCC(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21NO5/c1-13-3-8-16(17(11-13)24-2)25-12-18(21)20-10-9-14-4-6-15(7-5-14)19(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyJMQNLJSLQXTZMM-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.44
Rot. Bonds8

About 4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid

4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid (PubChem CID 45347313) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid
PubChem CID45347313
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid
SMILESCOc1cc(C)ccc1OCC(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21NO5/c1-13-3-8-16(17(11-13)24-2)25-12-18(21)20-10-9-14-4-6-15(7-5-14)19(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyJMQNLJSLQXTZMM-UHFFFAOYSA-N
XLogP2.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2709028
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 19621775
4-[[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 134039174
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628343
2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699567
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 60666680
2-cyano-N-[2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20986864
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 33105392

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid (CID 45347313) is 4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid is COc1cc(C)ccc1OCC(=O)NCCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid?
The InChIKey is JMQNLJSLQXTZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-13-3-8-16(17(11-13)24-2)25-12-18(21)20-10-9-14-4-6-15(7-5-14)19(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid?
4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid has a molecular weight of 343.38 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 45347313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).