3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid

C18H19NO4 — CID 41177576

IUPAC3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid
SMILESCc1cc(C)cc(OCC(=O)Nc2cc(C(=O)O)ccc2C)c1
InChIInChI=1S/C18H19NO4/c1-11-6-12(2)8-15(7-11)23-10-17(20)19-16-9-14(18(21)22)5-4-13(16)3/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyMNWANEJVEKQENY-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.33
Rot. Bonds5

About 3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid

3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid (PubChem CID 41177576) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid
PubChem CID41177576
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid
SMILESCc1cc(C)cc(OCC(=O)Nc2cc(C(=O)O)ccc2C)c1
InChIInChI=1S/C18H19NO4/c1-11-6-12(2)8-15(7-11)23-10-17(20)19-16-9-14(18(21)22)5-4-13(16)3/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyMNWANEJVEKQENY-UHFFFAOYSA-N
XLogP3.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473
2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
3-[[2-(4-formylphenoxy)acetyl]amino]-4-methylbenzoic acid
CID 39164319
2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 926865
5-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 17359281
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
CID 3420785
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 806985
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-4-methylbenzoic acid
CID 45429183
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 7784194

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid (CID 41177576) is 3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid is Cc1cc(C)cc(OCC(=O)Nc2cc(C(=O)O)ccc2C)c1.
What is the InChIKey of 3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid?
The InChIKey is MNWANEJVEKQENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-11-6-12(2)8-15(7-11)23-10-17(20)19-16-9-14(18(21)22)5-4-13(16)3/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid?
3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid has a molecular weight of 313.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 41177576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).