[4-(4-Aminobenzoyl)oxyphenyl] 4-aminobenzoate

C₂₀H₁₆N₂O₄CAS 22095-98-3348.36 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₂₀H₁₆N₂O₄
Molar mass: 348.36 g/mol
Exact mass: 348.1110 Da
logP: 3.29Crippen estimate
Polar surface area: 104.6 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 4

Identifiers

CAS number

22095-98-3

SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N)N

InChIKey

FPXWISWMBLVKOD-UHFFFAOYSA-N

InChI

InChI=1S/C20H16N2O4/c21-15-5-1-13(2-6-15)19(23)25-17-9-11-18(12-10-17)26-20(24)14-3-7-16(22)8-4-14/h1-12H,21-22H2

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Names and synonyms

1 names

(4-(4-Aminobenzoyl)oxyphenyl) 4-aminobenzoate

Work with [4-(4-Aminobenzoyl)oxyphenyl] 4-aminobenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Aminophenyl 4-aminobenzoate20610-77-9100 % similar 1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-461 % similar Methyl 4-aminobenzoate619-45-460 % similar Trimethylene glycol di-P-aminobenzoate57609-64-056 % similar Phenyl benzoate93-99-255 % similar p-Aminophenyl acetate13871-68-655 % similar Propan-2-yl 4-aminobenzoate18144-43-955 % similar tert-Butyl 4-aminobenzoate18144-47-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,4-Benzenedicarboxylic acid bis(4-aminophenyl) ester16926-73-1 Camptothecin7689-03-4

Elsewhere

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