(E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide

C19H19NO3 — CID 159997412

IUPAC(E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCc1ccc(CC(=O)c2ccccc2/C=C/C(=O)NO)cc1
InChIInChI=1S/C19H19NO3/c1-2-14-7-9-15(10-8-14)13-18(21)17-6-4-3-5-16(17)11-12-19(22)20-23/h3-12,23H,2,13H2,1H3,(H,20,22)/b12-11+
InChIKeyOHSJFJNXQPNGBX-VAWYXSNFSA-N
MW309.37 g/mol
LogP3.19
Rot. Bonds6

About (E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 159997412) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID159997412
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCc1ccc(CC(=O)c2ccccc2/C=C/C(=O)NO)cc1
InChIInChI=1S/C19H19NO3/c1-2-14-7-9-15(10-8-14)13-18(21)17-6-4-3-5-16(17)11-12-19(22)20-23/h3-12,23H,2,13H2,1H3,(H,20,22)/b12-11+
InChIKeyOHSJFJNXQPNGBX-VAWYXSNFSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.19
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)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide (CID 159997412) is (E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide is CCc1ccc(CC(=O)c2ccccc2/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is OHSJFJNXQPNGBX-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-14-7-9-15(10-8-14)13-18(21)17-6-4-3-5-16(17)11-12-19(22)20-23/h3-12,23H,2,13H2,1H3,(H,20,22)/b12-11+.
What are the key properties of (E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 309.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 159997412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).