(E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide

C17H14N2O2 — CID 696321

IUPAC(E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H14N2O2/c18-11-15(10-13-6-8-16(20)9-7-13)17(21)19-12-14-4-2-1-3-5-14/h1-10,20H,12H2,(H,19,21)/b15-10+
InChIKeyRCKZSMPYPDOOCC-XNTDXEJSSA-N
MW278.31 g/mol
LogP2.62
Rot. Bonds4

About (E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide

(E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 696321) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID696321
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H14N2O2/c18-11-15(10-13-6-8-16(20)9-7-13)17(21)19-12-14-4-2-1-3-5-14/h1-10,20H,12H2,(H,19,21)/b15-10+
InChIKeyRCKZSMPYPDOOCC-XNTDXEJSSA-N
XLogP2.62
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.62
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 (E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)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 (E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide (CID 696321) is (E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide is N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is RCKZSMPYPDOOCC-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-11-15(10-13-6-8-16(20)9-7-13)17(21)19-12-14-4-2-1-3-5-14/h1-10,20H,12H2,(H,19,21)/b15-10+.
What are the key properties of (E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 278.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 696321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).