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139701-71-6 | Butanamide, 4-(benzoyloxy)-N-(phenylmethyl)-
CAS No: 139701-71-6 Catalog No: AG001BJB MDL No:
Product Description
Catalog Number:
AG001BJB
Chemical Name:
Butanamide, 4-(benzoyloxy)-N-(phenylmethyl)-
CAS Number:
139701-71-6
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
[4-(benzylamino)-4-oxobutyl] benzoate
InChI:
InChI=1S/C18H19NO3/c20-17(19-14-15-8-3-1-4-9-15)12-7-13-22-18(21)16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2,(H,19,20)
InChI Key:
ANMOCDCSLYLIMG-UHFFFAOYSA-N
SMILES:
O=C(NCc1ccccc1)CCCOC(=O)c1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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