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83800-50-4 | Benzamide, 4-(acetylamino)-N-[2-[(aminoacetyl)ethylamino]ethyl]-
CAS No: 83800-50-4 Catalog No: AG004SJO MDL No:
Product Description
Catalog Number:
AG004SJO
Chemical Name:
Benzamide, 4-(acetylamino)-N-[2-[(aminoacetyl)ethylamino]ethyl]-
CAS Number:
83800-50-4
Molecular Formula:
C15H22N4O3
Molecular Weight:
306.3602
IUPAC Name:
4-acetamido-N-[2-[(4-amino-3-oxobutyl)amino]ethyl]benzamide
InChI:
InChI=1S/C15H22N4O3/c1-11(20)19-13-4-2-12(3-5-13)15(22)18-9-8-17-7-6-14(21)10-16/h2-5,17H,6-10,16H2,1H3,(H,18,22)(H,19,20)
InChI Key:
GWMDVPDURPDNAZ-UHFFFAOYSA-N
SMILES:
NCC(=O)CCNCCNC(=O)c1ccc(cc1)NC(=O)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.169g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
306.366g/mol
Monoisotopic Mass:
306.169g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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