ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate

C25H23NO5 — CID 146802367

IUPACethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate
SMILESCCOC(=O)c1ccc(N(c2ccc(C=O)cc2)c2ccc(C(=O)OCC)cc2)cc1
InChIInChI=1S/C25H23NO5/c1-3-30-24(28)19-7-13-22(14-8-19)26(21-11-5-18(17-27)6-12-21)23-15-9-20(10-16-23)25(29)31-4-2/h5-17H,3-4H2,1-2H3
InChIKeyRYDWTMFAYXLCTO-UHFFFAOYSA-N
MW417.46 g/mol
LogP5.32
Rot. Bonds8

About ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate

ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate (PubChem CID 146802367) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate.

Molecular Properties

Compound Nameethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate
PubChem CID146802367
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Nameethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate
SMILESCCOC(=O)c1ccc(N(c2ccc(C=O)cc2)c2ccc(C(=O)OCC)cc2)cc1
InChIInChI=1S/C25H23NO5/c1-3-30-24(28)19-7-13-22(14-8-19)26(21-11-5-18(17-27)6-12-21)23-15-9-20(10-16-23)25(29)31-4-2/h5-17H,3-4H2,1-2H3
InChIKeyRYDWTMFAYXLCTO-UHFFFAOYSA-N
XLogP5.32
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate 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 4-(N-[4-[4-(N-(4-ethoxycarbonylphenyl)anilino)phenyl]phenyl]anilino)benzoate
CID 69243202
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
CID 14669998
ethyl 4-(diethoxyamino)benzoate
CID 22239273
4-(4-formyl-N-(4-formylphenyl)anilino)benzoic acid
CID 87579958
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
CID 11709102
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504377
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate
CID 168861948
hexadecyl 4-formylbenzoate
CID 13404983
ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate
CID 91744199
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
6-(4-formylbenzoyl)oxyhexyl 4-formylbenzoate
CID 102486247

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate?
The IUPAC name of ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate (CID 146802367) is ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate.
What is the SMILES notation for ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate?
The canonical SMILES for ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate is CCOC(=O)c1ccc(N(c2ccc(C=O)cc2)c2ccc(C(=O)OCC)cc2)cc1.
What is the InChIKey of ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate?
The InChIKey is RYDWTMFAYXLCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-3-30-24(28)19-7-13-22(14-8-19)26(21-11-5-18(17-27)6-12-21)23-15-9-20(10-16-23)25(29)31-4-2/h5-17H,3-4H2,1-2H3.
What are the key properties of ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate?
ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate has a molecular weight of 417.46 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate is sourced from PubChem (CID 146802367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).