CID 51762808
PubChem CID
51762808
Structure
Molecular Formula
Status
Non-live
Molecular Weight
429.1 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2S)-2-[(2-chloroacetyl)-hexylamino]-2-cyclohexyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
InChI=1S/C24H45ClN2O2/c1-7-8-9-13-16-27(20(28)17-25)21(19-14-11-10-12-15-19)22(29)26-24(5,6)18-23(2,3)4/h19,21H,7-18H2,1-6H3,(H,26,29)/t21-/m0/s1
DYVSYPPDCTZCGW-NRFANRHFSA-N
CCCCCCN([C@@H](C1CCCCC1)C(=O)NC(C)(C)CC(C)(C)C)C(=O)CCl
C24H45ClN2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
429.1 g/mol
Property Name
XLogP3-AA
Property Value
7.1
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
12
Property Name
Exact Mass
Property Value
428.3169564 g/mol
Property Name
Monoisotopic Mass
Property Value
428.3169564 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
508
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