(Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide

C26H25N3O — CID 108824842

IUPAC(Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccccc1NC(=O)/C(C#N)=C\N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H25N3O/c1-20(2)24-15-9-10-16-25(24)28-26(30)22(17-27)19-29(23-13-7-4-8-14-23)18-21-11-5-3-6-12-21/h3-16,19-20H,18H2,1-2H3,(H,28,30)/b22-19-
InChIKeyZWUOOAONSSFTED-QOCHGBHMSA-N
MW395.51 g/mol
LogP5.86
Rot. Bonds7

About (Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide

(Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide (PubChem CID 108824842) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is (Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide
PubChem CID108824842
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name(Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccccc1NC(=O)/C(C#N)=C\N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H25N3O/c1-20(2)24-15-9-10-16-25(24)28-26(30)22(17-27)19-29(23-13-7-4-8-14-23)18-21-11-5-3-6-12-21/h3-16,19-20H,18H2,1-2H3,(H,28,30)/b22-19-
InChIKeyZWUOOAONSSFTED-QOCHGBHMSA-N
XLogP5.86
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
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-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)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)-3-(N-benzylanilino)-2-cyano-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857183
(Z)-N-benzyl-3-(N-benzylanilino)-2-cyano-N-propan-2-ylprop-2-enamide
CID 108830051
(E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 19169428
(Z)-3-(N-benzylanilino)-2-cyano-N-(4-nitrophenyl)prop-2-enamide
CID 108853080
(Z)-3-(N-benzylanilino)-N-(3-chloropropyl)-2-cyanoprop-2-enamide
CID 108854199
2-[4-[[(Z)-2-cyano-3-oxo-3-(2-propan-2-ylanilino)prop-1-enyl]amino]phenyl]acetic acid
CID 108824784
(Z)-3-(N-benzylanilino)-2-cyano-N-(3-nitrophenyl)prop-2-enamide
CID 108853453
(Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide
CID 108824386
2-cyano-3-(2,2-dimethoxyethylamino)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 171152539
(Z)-2-cyano-3-(2-methylanilino)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824639
(Z)-3-(N-benzylanilino)-N-(3-butoxypropyl)-2-cyanoprop-2-enamide
CID 108837106
(Z)-3-(N-benzylanilino)-2-cyano-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108838971

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide (CID 108824842) is (Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccccc1NC(=O)/C(C#N)=C\N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is ZWUOOAONSSFTED-QOCHGBHMSA-N. The full InChI is InChI=1S/C26H25N3O/c1-20(2)24-15-9-10-16-25(24)28-26(30)22(17-27)19-29(23-13-7-4-8-14-23)18-21-11-5-3-6-12-21/h3-16,19-20H,18H2,1-2H3,(H,28,30)/b22-19-.
What are the key properties of (Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide?
(Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 395.51 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 108824842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).