5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid

C19H19NO6 — CID 152557915

IUPAC5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid
SMILESCCCCOC(=O)c1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C19H19NO6/c1-2-3-10-26-19(25)13-6-4-12(5-7-13)17(22)20-14-8-9-16(21)15(11-14)18(23)24/h4-9,11,21H,2-3,10H2,1H3,(H,20,22)(H,23,24)
InChIKeyYOWMIMIMZKFLIR-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.30
Rot. Bonds7

About 5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid

5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 152557915) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID152557915
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid
SMILESCCCCOC(=O)c1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C19H19NO6/c1-2-3-10-26-19(25)13-6-4-12(5-7-13)17(22)20-14-8-9-16(21)15(11-14)18(23)24/h4-9,11,21H,2-3,10H2,1H3,(H,20,22)(H,23,24)
InChIKeyYOWMIMIMZKFLIR-UHFFFAOYSA-N
XLogP3.30
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000995
butyl 4-[(4-iodobenzoyl)amino]benzoate
CID 2164958
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
hexyl 4-(pyridine-4-carbonylamino)benzoate
CID 19171743
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
pentyl 4-[(3-methylphenyl)carbamoyl]benzoate
CID 91735601
butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 7926949
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43353119
2-hydroxy-5-[(3-propoxybenzoyl)amino]benzoic acid
CID 28672191
butyl 4-[(2,4-difluorobenzoyl)amino]benzoate
CID 7760837
5-[[4-[4-(3-aminopropylamino)butylcarbamoyl]benzoyl]amino]-2-hydroxybenzoic acid
CID 78333493

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid (CID 152557915) is 5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid is CCCCOC(=O)c1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is YOWMIMIMZKFLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-2-3-10-26-19(25)13-6-4-12(5-7-13)17(22)20-14-8-9-16(21)15(11-14)18(23)24/h4-9,11,21H,2-3,10H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid?
5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 357.36 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 152557915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).