3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid

C24H22N2O2 — CID 56984592

IUPAC3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid
SMILESCCc1ccc(/C=N/c2ccc(C(=Cc3ccc(N)cc3)C(=O)O)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-2-17-3-5-19(6-4-17)16-26-22-13-9-20(10-14-22)23(24(27)28)15-18-7-11-21(25)12-8-18/h3-16H,2,25H2,1H3,(H,27,28)/b23-15?,26-16+
InChIKeyYAAXTEKLSYUMKR-DIWXPOFMSA-N
MW370.45 g/mol
LogP5.21
Rot. Bonds6

About 3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid

3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid (PubChem CID 56984592) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid
PubChem CID56984592
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid
SMILESCCc1ccc(/C=N/c2ccc(C(=Cc3ccc(N)cc3)C(=O)O)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-2-17-3-5-19(6-4-17)16-26-22-13-9-20(10-14-22)23(24(27)28)15-18-7-11-21(25)12-8-18/h3-16H,2,25H2,1H3,(H,27,28)/b23-15?,26-16+
InChIKeyYAAXTEKLSYUMKR-DIWXPOFMSA-N
XLogP5.21
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid
CID 83953215
(E)-2-(4-ethylphenyl)-3-phenylprop-2-enoic acid
CID 125466600
2-(4-aminophenyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 54537556
(Z)-2-(4-ethylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 83953378
2-(4-aminophenyl)-3-(4-hexoxyphenyl)prop-2-enoic acid
CID 54230127
(Z)-2-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952457
methyl 4-[[4-[2-[4-[(4-methoxycarbonylphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]benzoate
CID 2642368
4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658
(Z)-4-amino-2-(4-ethylphenyl)-4-oxobut-2-enoic acid
CID 19910832
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(4-ethylphenyl)prop-2-enoic acid
CID 83953226
2-ethoxy-3-(4-ethylphenyl)prop-2-enoic acid
CID 139651424
4-[(4-ethylphenyl)iminomethyl]benzonitrile
CID 23167748

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid?
The IUPAC name of 3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid (CID 56984592) is 3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid?
The canonical SMILES for 3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid is CCc1ccc(/C=N/c2ccc(C(=Cc3ccc(N)cc3)C(=O)O)cc2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid?
The InChIKey is YAAXTEKLSYUMKR-DIWXPOFMSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-2-17-3-5-19(6-4-17)16-26-22-13-9-20(10-14-22)23(24(27)28)15-18-7-11-21(25)12-8-18/h3-16H,2,25H2,1H3,(H,27,28)/b23-15?,26-16+.
What are the key properties of 3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid?
3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid has a molecular weight of 370.45 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid is sourced from PubChem (CID 56984592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).