(Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide

C25H23N3O — CID 108842244

IUPAC(Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide
SMILESN#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C25H23N3O/c26-16-24(25(29)27-17-21-10-4-1-5-11-21)20-28(18-22-12-6-2-7-13-22)19-23-14-8-3-9-15-23/h1-15,20H,17-19H2,(H,27,29)/b24-20-
InChIKeyMOFXAJSICOTIBC-GFMRDNFCSA-N
MW381.48 g/mol
LogP4.41
Rot. Bonds8

About (Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide

(Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide (PubChem CID 108842244) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide
PubChem CID108842244
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name(Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide
SMILESN#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C25H23N3O/c26-16-24(25(29)27-17-21-10-4-1-5-11-21)20-28(18-22-12-6-2-7-13-22)19-23-14-8-3-9-15-23/h1-15,20H,17-19H2,(H,27,29)/b24-20-
InChIKeyMOFXAJSICOTIBC-GFMRDNFCSA-N
XLogP4.41
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.41
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)-N-benzyl-2-cyano-3-(dibenzylamino)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)-N-benzyl-3-[benzyl(propan-2-yl)amino]-2-cyanoprop-2-enamide
CID 108842126
(Z)-3-[benzyl(2-hydroxyethyl)amino]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837436
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(Z)-3-[benzyl(methyl)amino]-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108839635
(Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 108839300
(Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108818087
(Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide
CID 108842279
(Z)-2-cyano-3-(dibenzylamino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849689
2-[[(Z)-3-[benzyl(methyl)amino]-2-cyanoprop-2-enoyl]amino]acetic acid
CID 108844056
(Z)-N-(3-acetylphenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108856766
(Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828890
(E)-N-benzyl-2-cyano-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 7966899

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide (CID 108842244) is (Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide is N#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of (Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide?
The InChIKey is MOFXAJSICOTIBC-GFMRDNFCSA-N. The full InChI is InChI=1S/C25H23N3O/c26-16-24(25(29)27-17-21-10-4-1-5-11-21)20-28(18-22-12-6-2-7-13-22)19-23-14-8-3-9-15-23/h1-15,20H,17-19H2,(H,27,29)/b24-20-.
What are the key properties of (Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide?
(Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide has a molecular weight of 381.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide is sourced from PubChem (CID 108842244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).