CID 51829632
PubChem CID
51829632
Structure
Molecular Formula
Status
Non-live
Molecular Weight
344.9 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2S)-N-butyl-2-[tert-butyl-(2-chloroacetyl)amino]-2-cyclohexylacetamide
InChI=1S/C18H33ClN2O2/c1-5-6-12-20-17(23)16(14-10-8-7-9-11-14)21(15(22)13-19)18(2,3)4/h14,16H,5-13H2,1-4H3,(H,20,23)/t16-/m0/s1
XSEBCSNVYAIOIN-INIZCTEOSA-N
CCCCNC(=O)[C@H](C1CCCCC1)N(C(=O)CCl)C(C)(C)C
C18H33ClN2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
344.9 g/mol
Property Name
XLogP3-AA
Property Value
4.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
344.2230560 g/mol
Property Name
Monoisotopic Mass
Property Value
344.2230560 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
387
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS