CID 34970062
PubChem CID
34970062
Structure
Molecular Formula
Status
Non-live
Molecular Weight
368.5 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(1S)-2-(3-benzamidopropanoylamino)-1-(4-ethylphenyl)ethyl]-dimethylazanium
InChI=1S/C22H29N3O2/c1-4-17-10-12-18(13-11-17)20(25(2)3)16-24-21(26)14-15-23-22(27)19-8-6-5-7-9-19/h5-13,20H,4,14-16H2,1-3H3,(H,23,27)(H,24,26)/p+1/t20-/m1/s1
NAKODPFQPNZLPB-HXUWFJFHSA-O
CCC1=CC=C(C=C1)[C@@H](CNC(=O)CCNC(=O)C2=CC=CC=C2)[NH+](C)C
C22H30N3O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
368.5 g/mol
Property Name
XLogP3-AA
Property Value
2.8
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
368.23380221 g/mol
Property Name
Monoisotopic Mass
Property Value
368.23380221 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.6 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
452
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
Old substance
CONTENTS