CID 51817868
PubChem CID
51817868
Structure
Molecular Formula
Status
Non-live
Molecular Weight
456.6 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2S)-N-butyl-3,3-diphenyl-2-[(2-phenylacetyl)-propylamino]propanamide
InChI=1S/C30H36N2O2/c1-3-5-21-31-30(34)29(32(22-4-2)27(33)23-24-15-9-6-10-16-24)28(25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,28-29H,3-5,21-23H2,1-2H3,(H,31,34)/t29-/m0/s1
KHQMCJFFUNZCFR-LJAQVGFWSA-N
CCCCNC(=O)[C@H](C(C1=CC=CC=C1)C2=CC=CC=C2)N(CCC)C(=O)CC3=CC=CC=C3
C30H36N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
456.6 g/mol
Property Name
XLogP3-AA
Property Value
6.3
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
456.277678395 g/mol
Property Name
Monoisotopic Mass
Property Value
456.277678395 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
34
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
571
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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