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100551-53-9 | Benzamide, N-[1-[(cyanoamino)carbonyl]-3-methylbutyl]-, (S)- (9CI)
CAS No: 100551-53-9 Catalog No: AG0002B3 MDL No:
Product Description
Catalog Number:
AG0002B3
Chemical Name:
Benzamide, N-[1-[(cyanoamino)carbonyl]-3-methylbutyl]-, (S)- (9CI)
CAS Number:
100551-53-9
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
IUPAC Name:
N-[(2S)-1-(cyanoamino)-4-methyl-1-oxopentan-2-yl]benzamide
InChI:
InChI=1S/C14H17N3O2/c1-10(2)8-12(14(19)16-9-15)17-13(18)11-6-4-3-5-7-11/h3-7,10,12H,8H2,1-2H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key:
CQGPHMXCTUVFJQ-LBPRGKRZSA-N
SMILES:
CC(C[C@@H](C(=O)NC#N)NC(=O)c1ccccc1)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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