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

C17H17NO4 — CID 100977124

IUPAC4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid
SMILESCc1ccc(OCC(=O)Nc2cc(C)ccc2C(=O)O)cc1
InChIInChI=1S/C17H17NO4/c1-11-3-6-13(7-4-11)22-10-16(19)18-15-9-12(2)5-8-14(15)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRSNIBSFHRQDITO-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.02
Rot. Bonds5

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

4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid (PubChem CID 100977124) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid
PubChem CID100977124
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid
SMILESCc1ccc(OCC(=O)Nc2cc(C)ccc2C(=O)O)cc1
InChIInChI=1S/C17H17NO4/c1-11-3-6-13(7-4-11)22-10-16(19)18-15-9-12(2)5-8-14(15)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRSNIBSFHRQDITO-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

4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
4-carboxy-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenolate
CID 54716594
N-(2-hydroxy-5-methylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 883490
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]-2-phenoxyacetamide
CID 2954030
methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 8801664
4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid
CID 2194379
4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid
CID 882599
2-(4-fluorophenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 894086
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046299
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid (CID 100977124) is 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid is Cc1ccc(OCC(=O)Nc2cc(C)ccc2C(=O)O)cc1.
What is the InChIKey of 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid?
The InChIKey is RSNIBSFHRQDITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-3-6-13(7-4-11)22-10-16(19)18-15-9-12(2)5-8-14(15)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid?
4-methyl-2-[[2-(4-methylphenoxy)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 4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 100977124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).