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

C19H19NO6 — CID 25026140

IUPAC2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid
SMILESCC(=O)c1cc(C)c(C)cc1OCC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C19H19NO6/c1-10-6-14(12(3)21)17(7-11(10)2)26-9-18(23)20-16-5-4-13(22)8-15(16)19(24)25/h4-8,22H,9H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyVXGYKZMOGHULKK-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.93
Rot. Bonds6

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

2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid (PubChem CID 25026140) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid
PubChem CID25026140
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid
SMILESCC(=O)c1cc(C)c(C)cc1OCC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C19H19NO6/c1-10-6-14(12(3)21)17(7-11(10)2)26-9-18(23)20-16-5-4-13(22)8-15(16)19(24)25/h4-8,22H,9H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyVXGYKZMOGHULKK-UHFFFAOYSA-N
XLogP2.93
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid
CID 17296562
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958
5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid
CID 759752
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
CID 1342326
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 61406202
5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
CID 578470
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
5-acetyloxy-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid
CID 1330946
2-(3-acetamidopropanoylamino)-5-hydroxybenzoic acid
CID 61405990
5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79282540
3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid
CID 108744198

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid (CID 25026140) is 2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid is CC(=O)c1cc(C)c(C)cc1OCC(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid?
The InChIKey is VXGYKZMOGHULKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-10-6-14(12(3)21)17(7-11(10)2)26-9-18(23)20-16-5-4-13(22)8-15(16)19(24)25/h4-8,22H,9H2,1-3H3,(H,20,23)(H,24,25).
What are the key properties of 2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid?
2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid has a molecular weight of 357.36 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 25026140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).