3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate

C18H18N2O4 — CID 91806882

IUPAC3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate
SMILESNc1ccc(C=CCOC(=O)C(OC=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H18N2O4/c19-15-7-3-13(4-8-15)2-1-11-23-18(22)17(24-12-21)14-5-9-16(20)10-6-14/h1-10,12,17H,11,19-20H2
InChIKeyBZRHWICDAIYKSD-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.32
Rot. Bonds7

About 3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate

3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate (PubChem CID 91806882) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate.

Molecular Properties

Compound Name3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate
PubChem CID91806882
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate
SMILESNc1ccc(C=CCOC(=O)C(OC=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H18N2O4/c19-15-7-3-13(4-8-15)2-1-11-23-18(22)17(24-12-21)14-5-9-16(20)10-6-14/h1-10,12,17H,11,19-20H2
InChIKeyBZRHWICDAIYKSD-UHFFFAOYSA-N
XLogP2.32
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-phenylprop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate
CID 173249563
[(E)-4-(4-aminophenyl)-1-[(E)-3-(4-aminophenyl)prop-2-enoxy]-1-oxobut-3-en-2-yl] 2,4-bis(methylamino)-4-oxobutanoate
CID 69293725
[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate
CID 101380473
[(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate
CID 159247460
[(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate
CID 23630652
bis(3-phenylprop-2-enyl) 2-hydroxybutanedioate
CID 86005171
4-[4-(4-aminophenoxy)phenyl]but-3-enal
CID 170482834
2-phenyl-2-(3-phenylprop-2-enoxy)acetohydrazide
CID 77002066
3-phenylprop-2-enyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 6614432
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947
4-(4-propan-2-ylphenyl)but-3-enamide
CID 170797717
3-phenylprop-2-enyl 4-formylbenzoate
CID 163212040

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate?
The IUPAC name of 3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate (CID 91806882) is 3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate.
What is the SMILES notation for 3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate?
The canonical SMILES for 3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate is Nc1ccc(C=CCOC(=O)C(OC=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate?
The InChIKey is BZRHWICDAIYKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c19-15-7-3-13(4-8-15)2-1-11-23-18(22)17(24-12-21)14-5-9-16(20)10-6-14/h1-10,12,17H,11,19-20H2.
What are the key properties of 3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate?
3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate has a molecular weight of 326.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)prop-2-enyl 2-(4-aminophenyl)-2-formyloxyacetate is sourced from PubChem (CID 91806882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).