(E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide

C17H16N2O3 — CID 11973766

IUPAC(E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=N/OCc2ccccc2)cc1)NO
InChIInChI=1S/C17H16N2O3/c20-17(19-21)11-10-14-6-8-15(9-7-14)12-18-22-13-16-4-2-1-3-5-16/h1-12,21H,13H2,(H,19,20)/b11-10+,18-12+
InChIKeyDHSYUAULSBHRPH-RJXLRZCOSA-N
MW296.33 g/mol
LogP2.76
Rot. Bonds6

About (E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide (PubChem CID 11973766) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide
PubChem CID11973766
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=N/OCc2ccccc2)cc1)NO
InChIInChI=1S/C17H16N2O3/c20-17(19-21)11-10-14-6-8-15(9-7-14)12-18-22-13-16-4-2-1-3-5-16/h1-12,21H,13H2,(H,19,20)/b11-10+,18-12+
InChIKeyDHSYUAULSBHRPH-RJXLRZCOSA-N
XLogP2.76
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]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-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide (CID 11973766) is (E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(/C=N/OCc2ccccc2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide?
The InChIKey is DHSYUAULSBHRPH-RJXLRZCOSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-17(19-21)11-10-14-6-8-15(9-7-14)12-18-22-13-16-4-2-1-3-5-16/h1-12,21H,13H2,(H,19,20)/b11-10+,18-12+.
What are the key properties of (E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide has a molecular weight of 296.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[(E)-phenylmethoxyiminomethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 11973766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).