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88329-87-7 | Acetamide, N-[3-[(2-cyanoethyl)(1-methylethyl)amino]phenyl]-
CAS No: 88329-87-7 Catalog No: AG0048AU MDL No:
Product Description
Catalog Number:
AG0048AU
Chemical Name:
Acetamide, N-[3-[(2-cyanoethyl)(1-methylethyl)amino]phenyl]-
CAS Number:
88329-87-7
Molecular Formula:
C14H19N3O
Molecular Weight:
245.3202
IUPAC Name:
N-[3-[2-cyanoethyl(propan-2-yl)amino]phenyl]acetamide
InChI:
InChI=1S/C14H19N3O/c1-11(2)17(9-5-8-15)14-7-4-6-13(10-14)16-12(3)18/h4,6-7,10-11H,5,9H2,1-3H3,(H,16,18)
InChI Key:
ILOVXLQMWZJSRR-UHFFFAOYSA-N
SMILES:
N#CCCN(c1cccc(c1)NC(=O)C)C(C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.153g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.326g/mol
Monoisotopic Mass:
245.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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