(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide

C18H14N4O — CID 108817306

IUPAC(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H14N4O/c1-13-2-6-17(7-3-13)22-18(23)15(11-20)12-21-16-8-4-14(10-19)5-9-16/h2-9,12,21H,1H3,(H,22,23)/b15-12-
InChIKeyKILFTEBJAPNZSM-QINSGFPZSA-N
MW302.34 g/mol
LogP3.32
Rot. Bonds4

About (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide

(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide (PubChem CID 108817306) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide
PubChem CID108817306
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H14N4O/c1-13-2-6-17(7-3-13)22-18(23)15(11-20)12-21-16-8-4-14(10-19)5-9-16/h2-9,12,21H,1H3,(H,22,23)/b15-12-
InChIKeyKILFTEBJAPNZSM-QINSGFPZSA-N
XLogP3.32
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-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)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827373
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide
CID 7265065
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-ethoxyphenyl)prop-2-enamide
CID 108855612
[4-[[(Z)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]amino]phenyl] thiocyanate
CID 108817380
(Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide
CID 108856731
(Z)-2-cyano-N-(4-methylphenyl)-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108817262
(Z)-3-(3-chloro-4-fluoroanilino)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 108817414
(Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide
CID 108817434
(Z)-2-cyano-3-(2,3-dimethylanilino)-N-(4-methylphenyl)prop-2-enamide
CID 108817279
(Z)-3-(4-acetamidoanilino)-N-(4-bromophenyl)-2-cyanoprop-2-enamide
CID 108815697
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-iodoanilino)prop-2-enamide
CID 108818847
methyl 2-cyano-3-(4-methylanilino)prop-2-enoate
CID 73370229

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide (CID 108817306) is (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is KILFTEBJAPNZSM-QINSGFPZSA-N. The full InChI is InChI=1S/C18H14N4O/c1-13-2-6-17(7-3-13)22-18(23)15(11-20)12-21-16-8-4-14(10-19)5-9-16/h2-9,12,21H,1H3,(H,22,23)/b15-12-.
What are the key properties of (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 302.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 108817306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).