ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate

C24H23NO3 — CID 91744199

IUPACethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(N(c2ccccc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-2-28-24(27)17-12-19-8-13-22(14-9-19)25(21-6-4-3-5-7-21)23-15-10-20(18-26)11-16-23/h3-11,13-16,18H,2,12,17H2,1H3
InChIKeyIIKXWBQELBUBNX-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.46
Rot. Bonds8

About ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate

ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate (PubChem CID 91744199) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate
PubChem CID91744199
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Nameethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(N(c2ccccc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-2-28-24(27)17-12-19-8-13-22(14-9-19)25(21-6-4-3-5-7-21)23-15-10-20(18-26)11-16-23/h3-11,13-16,18H,2,12,17H2,1H3
InChIKeyIIKXWBQELBUBNX-UHFFFAOYSA-N
XLogP5.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-phenylpropanoate;propanal
CID 90891703
ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
CID 59859894
methyl 3-(4-formylphenyl)propanoate
CID 11063253
2-methoxyethyl 3-[4-(N-[4-[4-(N-[4-(3-oxobutyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]propanoate
CID 59982740
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate
CID 146802367
methyl 3-[4-(N-[4-[4-[4-(3-methoxy-3-oxopropyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-4-phenylanilino)phenyl]propanoate
CID 22335995
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
CID 11709102
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
ethyl 3-[4-(N-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]anilino)phenyl]prop-2-enoate
CID 139035919
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
methyl 3-[4-[4-[2-[4-[4-(3-methoxy-3-oxopropyl)-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]ethyl]-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate
CID 71277676

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate?
The IUPAC name of ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate (CID 91744199) is ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate is CCOC(=O)CCc1ccc(N(c2ccccc2)c2ccc(C=O)cc2)cc1.
What is the InChIKey of ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate?
The InChIKey is IIKXWBQELBUBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-2-28-24(27)17-12-19-8-13-22(14-9-19)25(21-6-4-3-5-7-21)23-15-10-20(18-26)11-16-23/h3-11,13-16,18H,2,12,17H2,1H3.
What are the key properties of ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate?
ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate has a molecular weight of 373.45 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate is sourced from PubChem (CID 91744199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).