Free Chemical Databases
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[Synonyms]
N,N-Diisopropyl-2-propylvaleramide
Valeramide, N,N-diisopropyl-2-propyl-
BRN 2437130
LS-160931
2653-57-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 227.38616 [g/mol] Molecular Formula C14H29NO XLogP 4.4 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 7 Exact Mass 227.224915 MonoIsotopic Mass 227.224915 Topological Polar Surface Area 20.3 Heavy Atom Count 16 Formal Charge 0 Complexity 185 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: N,N-di(propan-2-yl)-2-propylpentanamide
Canonical SMILES: CCCC(CCC)C(=O)N(C(C)C)C(C)C
InChI: InChI=1/C14H29NO/c1-7-9-13(10-8-2)14(16)15(11(3)4)12(5)6/h11-13H,7-10H2,
1-6H3
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