4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate

C21H26N2O2 — CID 70404215

IUPAC4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate
SMILESCCN(CCCCOC(C)=O)c1ccc(C=Cc2ccncc2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-23(16-4-5-17-25-18(2)24)21-10-8-19(9-11-21)6-7-20-12-14-22-15-13-20/h6-15H,3-5,16-17H2,1-2H3
InChIKeyGDXXKPDVTZESTJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.42
Rot. Bonds9

About 4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate

4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate (PubChem CID 70404215) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate.

Molecular Properties

Compound Name4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate
PubChem CID70404215
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate
SMILESCCN(CCCCOC(C)=O)c1ccc(C=Cc2ccncc2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-23(16-4-5-17-25-18(2)24)21-10-8-19(9-11-21)6-7-20-12-14-22-15-13-20/h6-15H,3-5,16-17H2,1-2H3
InChIKeyGDXXKPDVTZESTJ-UHFFFAOYSA-N
XLogP4.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate 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

2-[N-(2-acetyloxyethyl)-4-[(E)-2-[1-(2-aminoethyl)pyridin-1-ium-4-yl]ethenyl]anilino]ethyl acetate
CID 23787086
[4-[ethyl-[2-[4-[4-(2-pyridin-4-ylethenyl)benzoyl]phenyl]ethyl]amino]phenyl]-phenylmethanone
CID 123613096
2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
CID 138670984
4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
CID 164863201
N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline
CID 71341716
ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
CID 145062072
methyl 4-[4-[(E)-2-pyridin-4-ylethenyl]-N-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]anilino]benzoate
CID 24814387
N-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline
CID 59094293
4-(N-ethyl-4-formylanilino)butanoic acid
CID 22561269
N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline
CID 68655204
N,N-diethyl-4-(3-pyridin-4-ylprop-1-enyl)aniline
CID 57073897
3-acetyloxypropyl-[2-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl]-dimethylazanium
CID 3023173

Frequently Asked Questions

What is the IUPAC name of 4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate?
The IUPAC name of 4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate (CID 70404215) is 4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate.
What is the SMILES notation for 4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate?
The canonical SMILES for 4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate is CCN(CCCCOC(C)=O)c1ccc(C=Cc2ccncc2)cc1.
What is the InChIKey of 4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate?
The InChIKey is GDXXKPDVTZESTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-23(16-4-5-17-25-18(2)24)21-10-8-19(9-11-21)6-7-20-12-14-22-15-13-20/h6-15H,3-5,16-17H2,1-2H3.
What are the key properties of 4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate?
4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate has a molecular weight of 338.45 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate is sourced from PubChem (CID 70404215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).