CID 30111045
PubChem CID
30111045
Structure
Molecular Formula
Status
Non-live
Molecular Weight
276.37 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
3-amino-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
InChI=1S/C16H24N2O2/c1-10-5-4-6-14(11(10)2)18-16(19)12-7-8-15(20-3)13(17)9-12/h7-11,14H,4-6,17H2,1-3H3,(H,18,19)/t10-,11-,14+/m0/s1
HYTQOTUDFXWHMK-COPLHBTASA-N
C[C@H]1CCC[C@H]([C@H]1C)NC(=O)C2=CC(=C(C=C2)OC)N
C16H24N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
276.37 g/mol
Property Name
XLogP3-AA
Property Value
3.2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
276.183778013 g/mol
Property Name
Monoisotopic Mass
Property Value
276.183778013 g/mol
Property Name
Topological Polar Surface Area
Property Value
64.4 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
334
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
3
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