Free Chemical Databases
-
[Synonyms]
NSC50288
6342-38-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 249.30886 [g/mol] Molecular Formula C13H19N3O2 XLogP 0.9 H-Bond Donor 2 H-Bond Acceptor 3 Rotatable Bond Count 3 Tautomer Count 3 Exact Mass 249.147727 MonoIsotopic Mass 249.147727 Topological Polar Surface Area 53.6 Heavy Atom Count 18 Formal Charge 0 Complexity 259 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-(4-methylphenyl)-1-(morpholin-4-ylmethyl)urea
Canonical SMILES: CC1=CC=C(C=C1)NC(=O)NCN2CCOCC2
InChI: InChI=1/C13H19N3O2/c1-11-2-4-12(5-3-11)15-13(17)14-10-16-6-8-18-9-7-16/
h2-5H,6-10H2,1H3,(H2,14,15,17)/f/h14-15H
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