(E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide

C16H15NO3 — CID 44507934

IUPAC(E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)NO
InChIInChI=1S/C16H15NO3/c18-16(17-19)11-8-13-6-9-15(10-7-13)20-12-14-4-2-1-3-5-14/h1-11,19H,12H2,(H,17,18)/b11-8+
InChIKeyXZVJNBMIUPKZHF-DHZHZOJOSA-N
MW269.30 g/mol
LogP2.78
Rot. Bonds5

About (E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide

(E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 44507934) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID44507934
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)NO
InChIInChI=1S/C16H15NO3/c18-16(17-19)11-8-13-6-9-15(10-7-13)20-12-14-4-2-1-3-5-14/h1-11,19H,12H2,(H,17,18)/b11-8+
InChIKeyXZVJNBMIUPKZHF-DHZHZOJOSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide (CID 44507934) is (E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide is O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is XZVJNBMIUPKZHF-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H15NO3/c18-16(17-19)11-8-13-6-9-15(10-7-13)20-12-14-4-2-1-3-5-14/h1-11,19H,12H2,(H,17,18)/b11-8+.
What are the key properties of (E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide?
(E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 269.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 44507934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).