CID 51212742
PubChem CID
51212742
Structure
Molecular Formula
Status
Non-live
Molecular Weight
350.5 g/mol
Dates
- Create:2011-05-03
Chemical Structure Depiction
4-(1H-indol-3-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbutanamide
InChI=1S/C22H26N2O2/c1-16-11-12-21(26-3)18(13-16)15-24(2)22(25)10-6-7-17-14-23-20-9-5-4-8-19(17)20/h4-5,8-9,11-14,23H,6-7,10,15H2,1-3H3
KQEXZYSLKVINRF-UHFFFAOYSA-N
CC1=CC(=C(C=C1)OC)CN(C)C(=O)CCCC2=CNC3=CC=CC=C32
C22H26N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
350.5 g/mol
Property Name
XLogP3-AA
Property Value
3.9
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
7
Property Name
Exact Mass
Property Value
350.199428076 g/mol
Property Name
Monoisotopic Mass
Property Value
350.199428076 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.3 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
455
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
Old substance
Old substance
CONTENTS