N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide

C17H17NO3 — CID 6438354

IUPACN-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide
SMILESCC(=O)N(O)C/C=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
InChIKeyCEUDWZXMLMKPNN-SOFGYWHQSA-N
MW283.33 g/mol
LogP3.73
Rot. Bonds5

About N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide

N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide (PubChem CID 6438354) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide
PubChem CID6438354
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide
SMILESCC(=O)N(O)C/C=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
InChIKeyCEUDWZXMLMKPNN-SOFGYWHQSA-N
XLogP3.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide (CID 6438354) is N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide is CC(=O)N(O)C/C=C/c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide?
The InChIKey is CEUDWZXMLMKPNN-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+.
What are the key properties of N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide?
N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 6438354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).