CID 30699360
PubChem CID
30699360
Structure
Molecular Formula
Status
Non-live
Molecular Weight
307.39 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-(dimethylamino)-N-[(2S)-5-methylhexan-2-yl]-5-nitrobenzamide
InChI=1S/C16H25N3O3/c1-11(2)6-7-12(3)17-16(20)14-10-13(19(21)22)8-9-15(14)18(4)5/h8-12H,6-7H2,1-5H3,(H,17,20)/t12-/m0/s1
HREQABLMJJLBFC-LBPRGKRZSA-N
C[C@@H](CCC(C)C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N(C)C
C16H25N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
307.39 g/mol
Property Name
XLogP3-AA
Property Value
3.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
307.18959167 g/mol
Property Name
Monoisotopic Mass
Property Value
307.18959167 g/mol
Property Name
Topological Polar Surface Area
Property Value
78.2 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
379
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
Old substance
CONTENTS