Free Chemical Databases
-
[Synonyms]
NSC707471
NCI60_038170
[Structure]
[ Properties Computed from Structure]
Molecular Weight 315.45306 [g/mol] Molecular Formula C19H29N3O XLogP 2 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 4 Exact Mass 315.231063 MonoIsotopic Mass 315.231063 Topological Polar Surface Area 49.6 Heavy Atom Count 23 Formal Charge 0 Complexity 388 Isotope Atom Count 0 Defined Atom StereoCenter Count 3 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: (2S)-2-amino-N-methyl-2-phenyl-N-[(1S,
2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
Canonical SMILES: CN(C1CCCCC1N2CCCC2)C(=O)C(C3=CC=CC=C3)N
Isomeric SMILES: CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)[C@H](C3=CC=CC=C3)N
InChI: InChI=1/C19H29N3O/c1-21(19(23)18(20)15-9-3-2-4-10-15)16-11-5-6-12-17(16)
22-13-7-8-14-22/h2-4,9-10,16-18H,5-8,11-14,20H2,1H3/t16-,17-,18-/m0/s1
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