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88107-42-0 | 2-Propenamide, 2-cyano-N-ethyl-3-[methyl(phenylmethyl)amino]-
CAS No: 88107-42-0 Catalog No: AG004ISH MDL No:
Product Description
Catalog Number:
AG004ISH
Chemical Name:
2-Propenamide, 2-cyano-N-ethyl-3-[methyl(phenylmethyl)amino]-
CAS Number:
88107-42-0
Molecular Formula:
C14H17N3O
Molecular Weight:
243.3043
IUPAC Name:
3-[benzyl(methyl)amino]-2-cyano-N-ethylprop-2-enamide
InChI:
InChI=1S/C14H17N3O/c1-3-16-14(18)13(9-15)11-17(2)10-12-7-5-4-6-8-12/h4-8,11H,3,10H2,1-2H3,(H,16,18)
InChI Key:
JVJCFLFWZOPTPS-UHFFFAOYSA-N
SMILES:
CCNC(=O)C(=CN(Cc1ccccc1)C)C#N
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.31g/mol
Monoisotopic Mass:
243.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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