CID 51831086
PubChem CID
51831086
Structure
Molecular Formula
Status
Non-live
Molecular Weight
507.7 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-[2-[tert-butyl-[(1S)-1-(2,4-dimethylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
InChI=1S/C31H45N3O3/c1-21-16-17-24(22(2)18-21)26(28(37)33-31(9,10)20-29(3,4)5)34(30(6,7)8)25(35)19-32-27(36)23-14-12-11-13-15-23/h11-18,26H,19-20H2,1-10H3,(H,32,36)(H,33,37)/t26-/m0/s1
MPBWRSIPRWDBLU-SANMLTNESA-N
CC1=CC(=C(C=C1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)CNC(=O)C2=CC=CC=C2)C(C)(C)C)C
C31H45N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
507.7 g/mol
Property Name
XLogP3-AA
Property Value
6.2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
507.34609231 g/mol
Property Name
Monoisotopic Mass
Property Value
507.34609231 g/mol
Property Name
Topological Polar Surface Area
Property Value
78.5 A^2
Property Name
Heavy Atom Count
Property Value
37
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
787
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