(Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide

C20H21N3O — CID 108828138

IUPAC(Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C(C#N)=C\Nc2ccccc2)cc1
InChIInChI=1S/C20H21N3O/c1-2-3-7-16-10-12-19(13-11-16)23-20(24)17(14-21)15-22-18-8-5-4-6-9-18/h4-6,8-13,15,22H,2-3,7H2,1H3,(H,23,24)/b17-15-
InChIKeyOWHPGMTUTHFWBH-ICFOKQHNSA-N
MW319.41 g/mol
LogP4.49
Rot. Bonds7

About (Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide

(Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide (PubChem CID 108828138) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide
PubChem CID108828138
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C(C#N)=C\Nc2ccccc2)cc1
InChIInChI=1S/C20H21N3O/c1-2-3-7-16-10-12-19(13-11-16)23-20(24)17(14-21)15-22-18-8-5-4-6-9-18/h4-6,8-13,15,22H,2-3,7H2,1H3,(H,23,24)/b17-15-
InChIKeyOWHPGMTUTHFWBH-ICFOKQHNSA-N
XLogP4.49
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide 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

(Z)-3-(4-anilinoanilino)-N-(4-butylphenyl)-2-cyanoprop-2-enamide
CID 108828170
(Z)-3-(4-butylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858490
[4-[[(Z)-3-(4-butylanilino)-2-cyano-3-oxoprop-1-enyl]amino]phenyl] thiocyanate
CID 108828193
(Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108828196
(Z)-3-(4-butylanilino)-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850667
(Z)-N-(4-butylphenyl)-2-cyano-3-(2-ethyl-6-methylanilino)prop-2-enamide
CID 108828074
(Z)-N-(4-butylphenyl)-3-[(2-chlorophenyl)methylamino]-2-cyanoprop-2-enamide
CID 108828034
(Z)-N-(4-butylphenyl)-2-cyano-3-(2,4-dimethylanilino)prop-2-enamide
CID 108828093
(Z)-3-[(5-bromopyrimidin-2-yl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide
CID 108828332
(Z)-3-[butyl(methyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide
CID 108828201
(Z)-3-(4-butylanilino)-2-cyano-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 108822421
N-(4-butylphenyl)-3-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 4304434

Frequently Asked Questions

What is the IUPAC name of (Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide (CID 108828138) is (Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide is CCCCc1ccc(NC(=O)/C(C#N)=C\Nc2ccccc2)cc1.
What is the InChIKey of (Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide?
The InChIKey is OWHPGMTUTHFWBH-ICFOKQHNSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-3-7-16-10-12-19(13-11-16)23-20(24)17(14-21)15-22-18-8-5-4-6-9-18/h4-6,8-13,15,22H,2-3,7H2,1H3,(H,23,24)/b17-15-.
What are the key properties of (Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide?
(Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide has a molecular weight of 319.41 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide is sourced from PubChem (CID 108828138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).