Name: Name:N-(4-phenoxyphenyl)prop-2-enamide
Brand: Angene
SKU: AG019STN
Rating: 90 (10 reviews)

N-(4-phenoxyphenyl)prop-2-enamide

CAS No.:

134046-78-9

Catalog Number:

AG019STN

Molecular Formula:

C15H13NO2

Molecular Weight:

239.2692

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Product Description

Catalog Number:

AG019STN

Chemical Name:

N-(4-phenoxyphenyl)prop-2-enamide

CAS Number:

134046-78-9

Molecular Formula:

C15H13NO2

Molecular Weight:

239.2692

MDL Number:

MFCD12091155

IUPAC Name:

N-(4-phenoxyphenyl)prop-2-enamide

InChI:

InChI=1S/C15H13NO2/c1-2-15(17)16-12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h2-11H,1H2,(H,16,17)

InChI Key:

MEKQGWMFJFNYOY-UHFFFAOYSA-N

SMILES:

C=CC(=O)Nc1ccc(cc1)Oc1ccccc1

Properties

Complexity:

276

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.274g/mol

Monoisotopic Mass:

239.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

Literature

Title	Journal
Discovery and structure-activity relationship of potent and selective covalent inhibitors of transglutaminase 2 for Huntington's disease.	Journal of medicinal chemistry 20120209