(Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide

C19H17N3O2 — CID 2382425

IUPAC(Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H17N3O2/c1-14(23)22-18-9-7-15(8-10-18)11-17(12-20)19(24)21-13-16-5-3-2-4-6-16/h2-11H,13H2,1H3,(H,21,24)(H,22,23)/b17-11-
InChIKeyGLTUZNSBTJRKMI-BOPFTXTBSA-N
MW319.36 g/mol
LogP2.87
Rot. Bonds5

About (Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide

(Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide (PubChem CID 2382425) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide
PubChem CID2382425
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H17N3O2/c1-14(23)22-18-9-7-15(8-10-18)11-17(12-20)19(24)21-13-16-5-3-2-4-6-16/h2-11H,13H2,1H3,(H,21,24)(H,22,23)/b17-11-
InChIKeyGLTUZNSBTJRKMI-BOPFTXTBSA-N
XLogP2.87
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.87
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-(4-acetamidophenyl)-N-benzyl-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

(E)-3-(4-anilinophenyl)-N-benzyl-2-cyanoprop-2-enamide
CID 9045300
N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide
CID 5014584
(E)-N-[(4-acetamidophenyl)methyl]-2-cyano-3-[3-methyl-4-(2-phenylethoxy)phenyl]prop-2-enamide
CID 11762189
2-cyano-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 3473703
(Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide
CID 124628601
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
CID 2378159
(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 2426715
3-(4-acetamidophenyl)-2-cyano-N-octylprop-2-enamide
CID 3562827
(Z)-N-benzyl-2-cyano-3-(4-methyl-3-nitrophenyl)prop-2-enamide
CID 124656977
(E)-N-(4-acetamidophenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide
CID 7945801
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 7911783

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide (CID 2382425) is (Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide is CC(=O)Nc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of (Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide?
The InChIKey is GLTUZNSBTJRKMI-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-14(23)22-18-9-7-15(8-10-18)11-17(12-20)19(24)21-13-16-5-3-2-4-6-16/h2-11H,13H2,1H3,(H,21,24)(H,22,23)/b17-11-.
What are the key properties of (Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide?
(Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide has a molecular weight of 319.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide is sourced from PubChem (CID 2382425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).