CID 45938661
PubChem CID
45938661
Structure
Molecular Formula
Status
Non-live
Molecular Weight
495.7 g/mol
Dates
- Create:2010-06-22
Chemical Structure Depiction
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
InChI=1S/C32H37N3O2/c1-3-20-35(32(37)28(4-2)26-15-9-6-10-16-26)24-31(36)34(23-25-13-7-5-8-14-25)21-19-27-22-33-30-18-12-11-17-29(27)30/h5-18,22,28,33H,3-4,19-21,23-24H2,1-2H3
CWXOXRIRVUPMBM-UHFFFAOYSA-N
CCCN(CC(=O)N(CCC1=CNC2=CC=CC=C21)CC3=CC=CC=C3)C(=O)C(CC)C4=CC=CC=C4
C32H37N3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
495.7 g/mol
Property Name
XLogP3-AA
Property Value
6.2
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
12
Property Name
Exact Mass
Property Value
495.28857743 g/mol
Property Name
Monoisotopic Mass
Property Value
495.28857743 g/mol
Property Name
Topological Polar Surface Area
Property Value
56.4 A^2
Property Name
Heavy Atom Count
Property Value
37
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
700
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
Old substance
Old substance
Old substance
CONTENTS