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88098-93-5 | 2-Pentenamide, 2-acetyl-3-amino-N-[2-(dimethylamino)ethyl]-N-phenyl-
CAS No: 88098-93-5 Catalog No: AG004G89 MDL No:
Product Description
Catalog Number:
AG004G89
Chemical Name:
2-Pentenamide, 2-acetyl-3-amino-N-[2-(dimethylamino)ethyl]-N-phenyl-
CAS Number:
88098-93-5
Molecular Formula:
C17H25N3O2
Molecular Weight:
303.3993
IUPAC Name:
N-[2-(dimethylamino)ethyl]-2-(1-hydroxyethylidene)-3-imino-N-phenylpentanamide
InChI:
InChI=1S/C17H25N3O2/c1-5-15(18)16(13(2)21)17(22)20(12-11-19(3)4)14-9-7-6-8-10-14/h6-10,18,21H,5,11-12H2,1-4H3
InChI Key:
SRLRNVZEGKYHRA-UHFFFAOYSA-N
SMILES:
CCC(=C(C(=O)N(c1ccccc1)CCN(C)C)C(=O)C)N
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.195g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.406g/mol
Monoisotopic Mass:
303.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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