4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid

C18H19NO4 — CID 108744180

IUPAC4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)cc1
InChIInChI=1S/C18H19NO4/c1-18(2,3)13-7-4-11(5-8-13)16(21)19-14-9-6-12(17(22)23)10-15(14)20/h4-10,20H,1-3H3,(H,19,21)(H,22,23)
InChIKeyLVCAULZGRVTBDU-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.64
Rot. Bonds3

About 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid

4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid (PubChem CID 108744180) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
PubChem CID108744180
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)cc1
InChIInChI=1S/C18H19NO4/c1-18(2,3)13-7-4-11(5-8-13)16(21)19-14-9-6-12(17(22)23)10-15(14)20/h4-10,20H,1-3H3,(H,19,21)(H,22,23)
InChIKeyLVCAULZGRVTBDU-UHFFFAOYSA-N
XLogP3.64
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate
CID 108744837
4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid
CID 108744182
4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
CID 153343129
4-(2,2-dimethylpropanoylamino)-3-hydroxybenzoic acid
CID 55024977
3-hydroxy-4-[[4-(methanesulfonamido)benzoyl]amino]benzoic acid
CID 108766490
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
3-bromo-4-[(5-tert-butyl-2-hydroxybenzoyl)amino]benzoic acid
CID 86272699
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
CID 21352752
3-hydroxy-4-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 60827184
3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 60827348
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid (CID 108744180) is 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid is CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)cc1.
What is the InChIKey of 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid?
The InChIKey is LVCAULZGRVTBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-18(2,3)13-7-4-11(5-8-13)16(21)19-14-9-6-12(17(22)23)10-15(14)20/h4-10,20H,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid?
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid has a molecular weight of 313.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 108744180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).