(Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C20H20N2O4 — CID 5344631

IUPAC(Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-24-17-10-15(11-18(25-2)19(17)26-3)9-16(12-21)20(23)22-13-14-7-5-4-6-8-14/h4-11H,13H2,1-3H3,(H,22,23)/b16-9-
InChIKeyYLRBVVWSJKUZFD-SXGWCWSVSA-N
MW352.39 g/mol
LogP2.94
Rot. Bonds7

About (Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 5344631) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID5344631
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-24-17-10-15(11-18(25-2)19(17)26-3)9-16(12-21)20(23)22-13-14-7-5-4-6-8-14/h4-11H,13H2,1-3H3,(H,22,23)/b16-9-
InChIKeyYLRBVVWSJKUZFD-SXGWCWSVSA-N
XLogP2.94
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3,4,5-trimethoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 5344631) is (Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of (Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is YLRBVVWSJKUZFD-SXGWCWSVSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-24-17-10-15(11-18(25-2)19(17)26-3)9-16(12-21)20(23)22-13-14-7-5-4-6-8-14/h4-11H,13H2,1-3H3,(H,22,23)/b16-9-.
What are the key properties of (Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 352.39 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 5344631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).