4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid

C16H16N2O4 — CID 108744182

IUPAC4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid
SMILESCN(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)cc1
InChIInChI=1S/C16H16N2O4/c1-18(2)12-6-3-10(4-7-12)15(20)17-13-8-5-11(16(21)22)9-14(13)19/h3-9,19H,1-2H3,(H,17,20)(H,21,22)
InChIKeyMQYBCVWLVUHQNY-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.41
Rot. Bonds4

About 4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid

4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid (PubChem CID 108744182) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid
PubChem CID108744182
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid
SMILESCN(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)cc1
InChIInChI=1S/C16H16N2O4/c1-18(2)12-6-3-10(4-7-12)15(20)17-13-8-5-11(16(21)22)9-14(13)19/h3-9,19H,1-2H3,(H,17,20)(H,21,22)
InChIKeyMQYBCVWLVUHQNY-UHFFFAOYSA-N
XLogP2.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Acetamido-3-hydroxybenzoic acid
CID 422136
4-[(3-Methoxybenzoyl)amino]benzoic acid
CID 3240131
4-(Acetylamino)-5-amino-3-hydroxybenzoic acid
CID 446366
4-(6-Aminohexanoylamino)-2-(4-hydroxyphenyl)benzoic acid
CID 44385365
N-(3-hydroxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 976622
4-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 6461311
4-[(4-Hydroxyphenyl)methylamino]benzoic acid
CID 9942868
Methyl 3-hydroxy-4-[[4-[(2-hydroxy-4-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate
CID 11396444
N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
CID 849286
Benzoic Acid Inhibitor 8
CID 5275968
Benzoic Acid Inhibitor 9
CID 5275969
Methyl 3-hydroxy-4-[[4-[4-[(2-hydroxy-4-methoxycarbonylphenyl)carbamoyl]phenyl]benzoyl]amino]benzoate
CID 11330160

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid (CID 108744182) is 4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid is CN(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid?
The InChIKey is MQYBCVWLVUHQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-18(2)12-6-3-10(4-7-12)15(20)17-13-8-5-11(16(21)22)9-14(13)19/h3-9,19H,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid?
4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid has a molecular weight of 300.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 108744182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).