2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid

C17H17NO4 — CID 45426301

IUPAC2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
SMILESCc1ccc(OCC(=O)Nc2ccccc2C(=O)O)c(C)c1
InChIInChI=1S/C17H17NO4/c1-11-7-8-15(12(2)9-11)22-10-16(19)18-14-6-4-3-5-13(14)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyCWNDOLYOKCCVRU-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.02
Rot. Bonds5

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

2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid (PubChem CID 45426301) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
PubChem CID45426301
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
SMILESCc1ccc(OCC(=O)Nc2ccccc2C(=O)O)c(C)c1
InChIInChI=1S/C17H17NO4/c1-11-7-8-15(12(2)9-11)22-10-16(19)18-14-6-4-3-5-13(14)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyCWNDOLYOKCCVRU-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-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4935075
2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide
CID 23932880
2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 4863455
N-(2-aminoethyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603417
N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876328
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246
2-[(E)-[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190263
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
CID 5046071
N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 16781912
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 59933606

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid (CID 45426301) is 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid is Cc1ccc(OCC(=O)Nc2ccccc2C(=O)O)c(C)c1.
What is the InChIKey of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid?
The InChIKey is CWNDOLYOKCCVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-7-8-15(12(2)9-11)22-10-16(19)18-14-6-4-3-5-13(14)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid?
2-[[2-(2,4-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-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 45426301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).