Name: Name:N-{1-cyano-1-[(4-methoxyphenyl)methyl]ethyl}acetamide
Brand: Angene
SKU: AG01BV76
Rating: 90 (10 reviews)

N-{1-cyano-1-[(4-methoxyphenyl)methyl]ethyl}acetamide

CAS No.:

31915-39-6

Catalog Number:

AG01BV76

Molecular Formula:

C13H16N2O2

Molecular Weight:

232.2783

Catalog Number:

AG01BV76

Chemical Name:

N-{1-cyano-1-[(4-methoxyphenyl)methyl]ethyl}acetamide

CAS Number:

31915-39-6

Molecular Formula:

C13H16N2O2

Molecular Weight:

232.2783

MDL Number:

MFCD30535626

IUPAC Name:

N-[2-cyano-1-(4-methoxyphenyl)propan-2-yl]acetamide

InChI:

InChI=1S/C13H16N2O2/c1-10(16)15-13(2,9-14)8-11-4-6-12(17-3)7-5-11/h4-7H,8H2,1-3H3,(H,15,16)

InChI Key:

CCBULJFLNYEIGS-UHFFFAOYSA-N

SMILES:

N#CC(Cc1ccc(cc1)OC)(NC(=O)C)C

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.283g/mol

Monoisotopic Mass:

232.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5