(E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid

C23H17NO4 — CID 132562716

IUPAC(E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid
SMILESO=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(/C=C/C(=O)O)cc2)cc1
InChIInChI=1S/C23H17NO4/c25-15-18-3-10-21(11-4-18)24(22-12-5-19(16-26)6-13-22)20-8-1-17(2-9-20)7-14-23(27)28/h1-16H,(H,27,28)/b14-7+
InChIKeyNYRJAGPPXYGWBL-VGOFMYFVSA-N
MW371.39 g/mol
LogP4.88
Rot. Bonds7

About (E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid

(E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid (PubChem CID 132562716) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is (E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid
PubChem CID132562716
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name(E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid
SMILESO=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(/C=C/C(=O)O)cc2)cc1
InChIInChI=1S/C23H17NO4/c25-15-18-3-10-21(11-4-18)24(22-12-5-19(16-26)6-13-22)20-8-1-17(2-9-20)7-14-23(27)28/h1-16H,(H,27,28)/b14-7+
InChIKeyNYRJAGPPXYGWBL-VGOFMYFVSA-N
XLogP4.88
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(N-[4-(2-carboxyethenyl)phenyl]anilino)phenyl]prop-2-enoic acid
CID 123784938
3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enoic acid
CID 123339824
4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde
CID 85434462
4-(4-formyl-N-(4-formylphenyl)anilino)benzoic acid
CID 87579958
(E)-3-[4-[butan-2-yl(ethyl)amino]phenyl]prop-2-enoic acid
CID 43274794
4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
CID 59742159
3-[4-(N-methylanilino)phenyl]prop-2-enoic acid
CID 74580701
3-[4-[2-chloroethyl(ethyl)amino]phenyl]prop-2-enoic acid
CID 70186302
2-[(E)-3-[4-(N-phenylanilino)phenyl]prop-2-enoyl]benzaldehyde
CID 173476667
(E)-3-[4-[butan-2-yl(methyl)amino]phenyl]prop-2-enoic acid
CID 43273166
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
3-[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]prop-2-enoic acid
CID 123770908

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid (CID 132562716) is (E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid is O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(/C=C/C(=O)O)cc2)cc1.
What is the InChIKey of (E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid?
The InChIKey is NYRJAGPPXYGWBL-VGOFMYFVSA-N. The full InChI is InChI=1S/C23H17NO4/c25-15-18-3-10-21(11-4-18)24(22-12-5-19(16-26)6-13-22)20-8-1-17(2-9-20)7-14-23(27)28/h1-16H,(H,27,28)/b14-7+.
What are the key properties of (E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid?
(E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid has a molecular weight of 371.39 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid is sourced from PubChem (CID 132562716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).