CID 45367549
PubChem CID
45367549
Structure
Molecular Formula
Status
Non-live
Molecular Weight
339.4 g/mol
Dates
- Create:2010-05-14
Chemical Structure Depiction
N-(3-ethylphenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
InChI=1S/C20H25N3O2/c1-3-16-5-4-6-17(15-16)21-20(24)23-13-11-22(12-14-23)18-7-9-19(25-2)10-8-18/h4-10,15H,3,11-14H2,1-2H3,(H,21,24)
UBFIQUZLEKMGSC-UHFFFAOYSA-N
CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC
C20H25N3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
339.4 g/mol
Property Name
XLogP3-AA
Property Value
3.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
339.19467705 g/mol
Property Name
Monoisotopic Mass
Property Value
339.19467705 g/mol
Property Name
Topological Polar Surface Area
Property Value
44.8 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
415
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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