3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid

C16H15NO6 — CID 108753869

IUPAC3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(C(=O)O)ccc2O)c1
InChIInChI=1S/C16H15NO6/c1-22-11-5-10(6-12(8-11)23-2)15(19)17-13-7-9(16(20)21)3-4-14(13)18/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyWMFKXORHCWLJEK-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.36
Rot. Bonds5

About 3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid

3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid (PubChem CID 108753869) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is 3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid
PubChem CID108753869
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Name3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(C(=O)O)ccc2O)c1
InChIInChI=1S/C16H15NO6/c1-22-11-5-10(6-12(8-11)23-2)15(19)17-13-7-9(16(20)21)3-4-14(13)18/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyWMFKXORHCWLJEK-UHFFFAOYSA-N
XLogP2.36
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264829
3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 60827348
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264990
3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753903
4-hydroxy-3-(pyrimidine-5-carbonylamino)benzoic acid
CID 107264598
4-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 108753883
3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
CID 107264705
3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 63117294
4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107670939
3-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]-4-hydroxybenzoic acid
CID 108753993

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid (CID 108753869) is 3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid is COc1cc(OC)cc(C(=O)Nc2cc(C(=O)O)ccc2O)c1.
What is the InChIKey of 3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid?
The InChIKey is WMFKXORHCWLJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-22-11-5-10(6-12(8-11)23-2)15(19)17-13-7-9(16(20)21)3-4-14(13)18/h3-8,18H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid?
3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid has a molecular weight of 317.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid is sourced from PubChem (CID 108753869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).