(E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide

C17H19N3O — CID 77014320

IUPAC(E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide
SMILESNNCCc1ccc(NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H19N3O/c18-19-13-12-15-6-9-16(10-7-15)20-17(21)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13,18H2,(H,20,21)/b11-8+
InChIKeyLDURLEVNPHSLED-DHZHZOJOSA-N
MW281.36 g/mol
LogP2.34
Rot. Bonds6

About (E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide

(E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 77014320) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide
PubChem CID77014320
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide
SMILESNNCCc1ccc(NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H19N3O/c18-19-13-12-15-6-9-16(10-7-15)20-17(21)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13,18H2,(H,20,21)/b11-8+
InChIKeyLDURLEVNPHSLED-DHZHZOJOSA-N
XLogP2.34
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-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-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide (CID 77014320) is (E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide is NNCCc1ccc(NC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is LDURLEVNPHSLED-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H19N3O/c18-19-13-12-15-6-9-16(10-7-15)20-17(21)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13,18H2,(H,20,21)/b11-8+.
What are the key properties of (E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(2-hydrazinylethyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 77014320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).