(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide

C21H20N2O3 — CID 25266610

IUPAC(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C(/C(=O)NC2CC2)c2ccccc2)cc1)NO
InChIInChI=1S/C21H20N2O3/c24-20(23-26)13-10-15-6-8-16(9-7-15)14-19(17-4-2-1-3-5-17)21(25)22-18-11-12-18/h1-10,13-14,18,26H,11-12H2,(H,22,25)(H,23,24)/b13-10+,19-14+
InChIKeyZVOHEQSIKADDSM-NIEGGPFSSA-N
MW348.40 g/mol
LogP3.02
Rot. Bonds6

About (E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide

(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide (PubChem CID 25266610) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide
PubChem CID25266610
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C(/C(=O)NC2CC2)c2ccccc2)cc1)NO
InChIInChI=1S/C21H20N2O3/c24-20(23-26)13-10-15-6-8-16(9-7-15)14-19(17-4-2-1-3-5-17)21(25)22-18-11-12-18/h1-10,13-14,18,26H,11-12H2,(H,22,25)(H,23,24)/b13-10+,19-14+
InChIKeyZVOHEQSIKADDSM-NIEGGPFSSA-N
XLogP3.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-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-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide (CID 25266610) is (E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide is O=C(/C=C/c1ccc(/C=C(/C(=O)NC2CC2)c2ccccc2)cc1)NO.
What is the InChIKey of (E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide?
The InChIKey is ZVOHEQSIKADDSM-NIEGGPFSSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20(23-26)13-10-15-6-8-16(9-7-15)14-19(17-4-2-1-3-5-17)21(25)22-18-11-12-18/h1-10,13-14,18,26H,11-12H2,(H,22,25)(H,23,24)/b13-10+,19-14+.
What are the key properties of (E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide?
(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide has a molecular weight of 348.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide is sourced from PubChem (CID 25266610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).