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24572-54-1 | Butanamide, 3-[[4-(dimethylamino)phenyl]imino]-N-phenyl-
CAS No: 24572-54-1 Catalog No: AG002OM7 MDL No:
Product Description
Catalog Number:
AG002OM7
Chemical Name:
Butanamide, 3-[[4-(dimethylamino)phenyl]imino]-N-phenyl-
CAS Number:
24572-54-1
Molecular Formula:
C18H21N3O
Molecular Weight:
295.3788
IUPAC Name:
3-[4-(dimethylamino)phenyl]imino-N-phenylbutanamide
InChI:
InChI=1S/C18H21N3O/c1-14(13-18(22)20-15-7-5-4-6-8-15)19-16-9-11-17(12-10-16)21(2)3/h4-12H,13H2,1-3H3,(H,20,22)
InChI Key:
WSSJSJFXQLOQCA-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)N=C(CC(=O)Nc1ccccc1)C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.386g/mol
Monoisotopic Mass:
295.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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