CID 46448133
PubChem CID
46448133
Structure
Molecular Formula
Status
Non-live
Molecular Weight
420.5 g/mol
Dates
- Create:2010-07-23
Chemical Structure Depiction
2-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
InChI=1S/C25H32N4O2/c1-4-29(5-2)17-20-11-7-6-10-19(20)15-27-25(31)24(28-18(3)30)14-21-16-26-23-13-9-8-12-22(21)23/h6-13,16,24,26H,4-5,14-15,17H2,1-3H3,(H,27,31)(H,28,30)
NEHLLSPKTHBHBM-UHFFFAOYSA-N
CCN(CC)CC1=CC=CC=C1CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C
C25H32N4O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
420.5 g/mol
Property Name
XLogP3
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
420.25252628 g/mol
Property Name
Monoisotopic Mass
Property Value
420.25252628 g/mol
Property Name
Topological Polar Surface Area
Property Value
77.2 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
580
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
1
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