Free Chemical Databases
-
[Synonyms]
AIDS018802
AIDS-018802
NSC41384
gamma-Diethylamino-alpha-phenylbutyramide
6973-92-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 234.33728 [g/mol] Molecular Formula C14H22N2O XLogP 1.6 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 7 Tautomer Count 2 Exact Mass 234.173213 MonoIsotopic Mass 234.173213 Topological Polar Surface Area 46.3 Heavy Atom Count 17 Formal Charge 0 Complexity 220 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 4-diethylamino-2-phenylbutanamide
Canonical SMILES: CCN(CC)CCC(C1=CC=CC=C1)C(=O)N
InChI: InChI=1/C14H22N2O/c1-3-16(4-2)11-10-13(14(15)17)12-8-6-5-7-9-12/h5-9,
13H,3-4,10-11H2,1-2H3,(H2,15,17)/f/h15H2
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