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106328-57-8 molecular structure
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N-hydroxy-N-[3-(3-phenoxyphenyl)prop-2-en-1-yl]acetamide

ChemBase ID: 154196
Molecular Formular: C17H17NO3
Molecular Mass: 283.32178
Monoisotopic Mass: 283.12084341
SMILES and InChIs

SMILES:
CC(=O)N(C/C=C/c1cccc(c1)Oc1ccccc1)O
Canonical SMILES:
CC(=O)N(C/C=C/c1cccc(c1)Oc1ccccc1)O
InChI:
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
InChIKey:
CEUDWZXMLMKPNN-UHFFFAOYSA-N

Cite this record

CBID:154196 http://www.chembase.cn/molecule-154196.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-hydroxy-N-[3-(3-phenoxyphenyl)prop-2-en-1-yl]acetamide
IUPAC Traditional name
N-hydroxy-N-[3-(3-phenoxyphenyl)prop-2-en-1-yl]acetamide
Synonyms
N-[(E)-3-(3-Phenoxyphenyl)prop-2-enyl]acetohydroxamic acid
BW A4C
CAS Number
106328-57-8
MDL Number
MFCD00869694
PubChem SID
162248335
24724425
PubChem CID
6438354

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
B7559 external link Add to cart Please log in.
Data Source Data ID
PubChem 6438354 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.222075  H Acceptors
H Donor LogD (pH = 5.5) 3.0240626 
LogD (pH = 7.4) 2.9642193  Log P 3.024882 
Molar Refractivity 82.2992 cm3 Polarizability 31.522459 Å3
Polar Surface Area 49.77 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO: soluble20 mg/mL expand Show data source
Apperance
white expand Show data source
Melting Point
79.3-80.1 °C(lit.) expand Show data source
Storage Condition
protect from light expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Gene Information
human ... ALOX5(240)rat ... Alox5(25290) expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C17H17NO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - B7559 external link
Biochem/physiol Actions
Selective 5-lipoxygenase (5-LOX) inhibitor. Inhibits synthesis of LTB4.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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