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

C19H21NO6 — CID 28675077

IUPAC5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
SMILESCCOc1cc(OCC)cc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1
InChIInChI=1S/C19H21NO6/c1-4-25-14-7-12(8-15(10-14)26-5-2)18(22)20-13-6-11(3)17(21)16(9-13)19(23)24/h6-10,21H,4-5H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyLWGGJLSUSLELTG-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.45
Rot. Bonds7

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

5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid (PubChem CID 28675077) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
PubChem CID28675077
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
SMILESCCOc1cc(OCC)cc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1
InChIInChI=1S/C19H21NO6/c1-4-25-14-7-12(8-15(10-14)26-5-2)18(22)20-13-6-11(3)17(21)16(9-13)19(23)24/h6-10,21H,4-5H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyLWGGJLSUSLELTG-UHFFFAOYSA-N
XLogP3.45
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.45
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

2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid
CID 28672195
2-hydroxy-3-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]benzoic acid
CID 28673126
2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid
CID 28675057
5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid
CID 28676419
N-(4-ethoxy-3,5-dimethylphenyl)benzamide
CID 13343221
N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide
CID 107574997
5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-hydroxy-3-methylbenzoic acid
CID 28671037
2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid
CID 28672085
3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid
CID 1369230
3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
CID 1364896
5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
CID 28667958
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid
CID 28675965

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid?
The IUPAC name of 5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid (CID 28675077) is 5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid?
The canonical SMILES for 5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid is CCOc1cc(OCC)cc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1.
What is the InChIKey of 5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid?
The InChIKey is LWGGJLSUSLELTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-4-25-14-7-12(8-15(10-14)26-5-2)18(22)20-13-6-11(3)17(21)16(9-13)19(23)24/h6-10,21H,4-5H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid?
5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid has a molecular weight of 359.38 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 28675077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).