2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid

C17H17NO4 — CID 5046071

IUPAC2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
SMILESCc1cccc(C)c1OCC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C17H17NO4/c1-11-6-5-7-12(2)16(11)22-10-15(19)18-14-9-4-3-8-13(14)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQLFQYHOVEGHMAR-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.02
Rot. Bonds5

About 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid

2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid (PubChem CID 5046071) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
PubChem CID5046071
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
SMILESCc1cccc(C)c1OCC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C17H17NO4/c1-11-6-5-7-12(2)16(11)22-10-15(19)18-14-9-4-3-8-13(14)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQLFQYHOVEGHMAR-UHFFFAOYSA-N
XLogP3.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17353983
4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1298155
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 86835516
2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 834898
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43171497
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 835994
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860630
2-(2-formyl-6-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 115955536
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid (CID 5046071) is 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid is Cc1cccc(C)c1OCC(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid?
The InChIKey is QLFQYHOVEGHMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-6-5-7-12(2)16(11)22-10-15(19)18-14-9-4-3-8-13(14)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid?
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid has a molecular weight of 299.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 5046071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).