Free Chemical Databases
-
[Synonyms]
NSC401479
7508-16-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 237.29486 [g/mol] Molecular Formula C13H19NO3 XLogP 1.6 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 7 Tautomer Count 2 Exact Mass 237.136493 MonoIsotopic Mass 237.136493 Topological Polar Surface Area 61.6 Heavy Atom Count 17 Formal Charge 0 Complexity 233 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: 5-(2,5-dimethoxyphenyl)pentanamide
Canonical SMILES: COC1=CC(=C(C=C1)OC)CCCCC(=O)N
InChI: InChI=1/C13H19NO3/c1-16-11-7-8-12(17-2)10(9-11)5-3-4-6-13(14)15/h7-9H,
3-6H2,1-2H3,(H2,14,15)/f/h14H2
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