CID 45943806
PubChem CID
45943806
Structure
Molecular Formula
Status
Non-live
Molecular Weight
396.5 g/mol
Dates
- Create:2010-06-22
Chemical Structure Depiction
3-(7-ethyl-1H-indol-3-yl)-3-phenyl-N-(1-phenylethyl)propanamide
InChI=1S/C27H28N2O/c1-3-20-15-10-16-23-25(18-28-27(20)23)24(22-13-8-5-9-14-22)17-26(30)29-19(2)21-11-6-4-7-12-21/h4-16,18-19,24,28H,3,17H2,1-2H3,(H,29,30)
MAZCMKIZWYMRQP-UHFFFAOYSA-N
CCC1=C2C(=CC=C1)C(=CN2)C(CC(=O)NC(C)C3=CC=CC=C3)C4=CC=CC=C4
C27H28N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
396.5 g/mol
Property Name
XLogP3-AA
Property Value
5.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
396.220163521 g/mol
Property Name
Monoisotopic Mass
Property Value
396.220163521 g/mol
Property Name
Topological Polar Surface Area
Property Value
44.9 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
537
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
2
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