[4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate

C21H18N2O4 — CID 154692007

IUPAC[4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCc2ccc(OC(=O)c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C21H18N2O4/c22-17-7-3-15(4-8-17)20(24)26-13-14-1-11-19(12-2-14)27-21(25)16-5-9-18(23)10-6-16/h1-12H,13,22-23H2
InChIKeyQLYVBPHUAUJTGJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.43
Rot. Bonds5

About [4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate

[4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate (PubChem CID 154692007) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is [4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate.

Molecular Properties

Compound Name[4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate
PubChem CID154692007
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name[4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCc2ccc(OC(=O)c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C21H18N2O4/c22-17-7-3-15(4-8-17)20(24)26-13-14-1-11-19(12-2-14)27-21(25)16-5-9-18(23)10-6-16/h1-12H,13,22-23H2
InChIKeyQLYVBPHUAUJTGJ-UHFFFAOYSA-N
XLogP3.43
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylmethoxycarbonylphenyl) 4-phenylbenzoate
CID 19181931
4-[4-(4-aminophenoxy)carbonylbenzoyl]oxybenzoic acid
CID 163886316
(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
CID 54018499
[4-[4-(prop-2-enoyloxymethyl)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethyl)benzoate
CID 20718187
[4-[5-[4-(4-aminobenzoyl)oxyphenoxy]pentoxy]phenyl] 4-aminobenzoate
CID 144631711
ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130
[4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate;4-(4-aminophenoxy)aniline;4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline
CID 167612006
[4-[1-(4-aminophenyl)ethenoxy]phenyl] 4-aminobenzoate
CID 158295997
(4-methylphenyl) 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 59193574
phenyl 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 68524918
(4-butoxyphenyl) 4-aminobenzoate
CID 142944256
benzyl 4-acetyloxybenzoate
CID 734064

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate?
The IUPAC name of [4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate (CID 154692007) is [4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate.
What is the SMILES notation for [4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate?
The canonical SMILES for [4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate is Nc1ccc(C(=O)OCc2ccc(OC(=O)c3ccc(N)cc3)cc2)cc1.
What is the InChIKey of [4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate?
The InChIKey is QLYVBPHUAUJTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c22-17-7-3-15(4-8-17)20(24)26-13-14-1-11-19(12-2-14)27-21(25)16-5-9-18(23)10-6-16/h1-12H,13,22-23H2.
What are the key properties of [4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate?
[4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate has a molecular weight of 362.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminobenzoyl)oxyphenyl]methyl 4-aminobenzoate is sourced from PubChem (CID 154692007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).