(E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide

C15H13NO3 — CID 71622957

IUPAC(E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Oc1ccccc1)NO
InChIInChI=1S/C15H13NO3/c17-15(16-18)11-10-12-6-4-5-9-14(12)19-13-7-2-1-3-8-13/h1-11,18H,(H,16,17)/b11-10+
InChIKeyTVELQZHZSPWQOZ-ZHACJKMWSA-N
MW255.27 g/mol
LogP3.00
Rot. Bonds4

About (E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide

(E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide (PubChem CID 71622957) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide
PubChem CID71622957
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Oc1ccccc1)NO
InChIInChI=1S/C15H13NO3/c17-15(16-18)11-10-12-6-4-5-9-14(12)19-13-7-2-1-3-8-13/h1-11,18H,(H,16,17)/b11-10+
InChIKeyTVELQZHZSPWQOZ-ZHACJKMWSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.00
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-(2-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide (CID 71622957) is (E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide is O=C(/C=C/c1ccccc1Oc1ccccc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide?
The InChIKey is TVELQZHZSPWQOZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13NO3/c17-15(16-18)11-10-12-6-4-5-9-14(12)19-13-7-2-1-3-8-13/h1-11,18H,(H,16,17)/b11-10+.
What are the key properties of (E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide?
(E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide has a molecular weight of 255.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(2-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 71622957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).