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

C18H19NO5 — CID 28675965

IUPAC5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid
SMILESCc1cccc(OCC(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1C
InChIInChI=1S/C18H19NO5/c1-10-5-4-6-15(12(10)3)24-9-16(20)19-13-7-11(2)17(21)14(8-13)18(22)23/h4-8,21H,9H2,1-3H3,(H,19,20)(H,22,23)
InChIKeyDABYKHYXUYPHGX-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.03
Rot. Bonds5

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

5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid (PubChem CID 28675965) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid
PubChem CID28675965
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid
SMILESCc1cccc(OCC(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1C
InChIInChI=1S/C18H19NO5/c1-10-5-4-6-15(12(10)3)24-9-16(20)19-13-7-11(2)17(21)14(8-13)18(22)23/h4-8,21H,9H2,1-3H3,(H,19,20)(H,22,23)
InChIKeyDABYKHYXUYPHGX-UHFFFAOYSA-N
XLogP3.03
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxybenzoic acid
CID 28675962
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 720618
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid
CID 28676419
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 28858761
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1334409
N-(3-amino-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867346
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
5-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid
CID 28676599
methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720624
2-(2,3-dimethylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17097883

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid?
The IUPAC name of 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid (CID 28675965) is 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid?
The canonical SMILES for 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid is Cc1cccc(OCC(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1C.
What is the InChIKey of 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid?
The InChIKey is DABYKHYXUYPHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-10-5-4-6-15(12(10)3)24-9-16(20)19-13-7-11(2)17(21)14(8-13)18(22)23/h4-8,21H,9H2,1-3H3,(H,19,20)(H,22,23).
What are the key properties of 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid?
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid has a molecular weight of 329.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 28675965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).