methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate

C19H21NO4 — CID 108744837

IUPACmethyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(O)c1
InChIInChI=1S/C19H21NO4/c1-19(2,3)14-8-5-12(6-9-14)17(22)20-15-10-7-13(11-16(15)21)18(23)24-4/h5-11,21H,1-4H3,(H,20,22)
InChIKeyUVDIQRXAAHQKLT-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.73
Rot. Bonds3

About methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate

methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate (PubChem CID 108744837) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate
PubChem CID108744837
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(O)c1
InChIInChI=1S/C19H21NO4/c1-19(2,3)14-8-5-12(6-9-14)17(22)20-15-10-7-13(11-16(15)21)18(23)24-4/h5-11,21H,1-4H3,(H,20,22)
InChIKeyUVDIQRXAAHQKLT-UHFFFAOYSA-N
XLogP3.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
methyl 3-hydroxy-4-[(4-pyrrol-1-ylbenzoyl)amino]benzoate
CID 108744794
methyl 3-hydroxy-4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 108767152
2-[[4-[(2-hydroxyanilino)methyl]phenyl]methylamino]phenol;methyl 3-hydroxy-4-[[4-[(2-hydroxy-4-methoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 143099197
methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate
CID 108767103
methyl 3-hydroxy-4-[(4-methyl-3,5-dinitrobenzoyl)amino]benzoate
CID 108744835
methyl 4-hydrazinyl-3-hydroxybenzoate
CID 70230568
methyl 4-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxybenzoate
CID 108767112
methyl 4-(diethylcarbamoylamino)-3-hydroxybenzoate
CID 108744866
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
CID 21352752
methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate
CID 108767153

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate?
The IUPAC name of methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate (CID 108744837) is methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate.
What is the SMILES notation for methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate?
The canonical SMILES for methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate is COC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(O)c1.
What is the InChIKey of methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate?
The InChIKey is UVDIQRXAAHQKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-19(2,3)14-8-5-12(6-9-14)17(22)20-15-10-7-13(11-16(15)21)18(23)24-4/h5-11,21H,1-4H3,(H,20,22).
What are the key properties of methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate?
methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate has a molecular weight of 327.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate is sourced from PubChem (CID 108744837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).