CID 51780445
PubChem CID
51780445
Structure
Molecular Formula
Status
Non-live
Molecular Weight
397.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-[2-[[(1S)-2-(butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
InChI=1S/C22H27N3O4/c1-3-4-14-23-22(29)20(16-10-12-18(26)13-11-16)25(2)19(27)15-24-21(28)17-8-6-5-7-9-17/h5-13,20,26H,3-4,14-15H2,1-2H3,(H,23,29)(H,24,28)/t20-/m0/s1
XQVMOMOVBUGXHE-FQEVSTJZSA-N
CCCCNC(=O)[C@H](C1=CC=C(C=C1)O)N(C)C(=O)CNC(=O)C2=CC=CC=C2
C22H27N3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
397.5 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
397.20015635 g/mol
Property Name
Monoisotopic Mass
Property Value
397.20015635 g/mol
Property Name
Topological Polar Surface Area
Property Value
98.7 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
540
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