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1008623-10-6 | 2-(3,5-Dimethyl-phenylamino)-N-phenyl-butyramide
CAS No: 1008623-10-6 Catalog No: AG01F9EV MDL No:
Product Description
Catalog Number:
AG01F9EV
Chemical Name:
2-(3,5-Dimethyl-phenylamino)-N-phenyl-butyramide
CAS Number:
1008623-10-6
Molecular Formula:
C18H22N2O
Molecular Weight:
282.3801
IUPAC Name:
2-(3,5-dimethylanilino)-N-phenylbutanamide
InChI:
InChI=1S/C18H22N2O/c1-4-17(18(21)20-15-8-6-5-7-9-15)19-16-11-13(2)10-14(3)12-16/h5-12,17,19H,4H2,1-3H3,(H,20,21)
InChI Key:
QODSQTRWLYOGPJ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Nc1ccccc1)Nc1cc(C)cc(c1)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.387g/mol
Monoisotopic Mass:
282.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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