CID 47415491
PubChem CID
47415491
Structure
Molecular Formula
Status
Non-live
Molecular Weight
249.27 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
3-N-[3-(methylamino)-3-oxopropyl]benzene-1,3-dicarboxamide
InChI=1S/C12H15N3O3/c1-14-10(16)5-6-15-12(18)9-4-2-3-8(7-9)11(13)17/h2-4,7H,5-6H2,1H3,(H2,13,17)(H,14,16)(H,15,18)
KDVSOYXLRFVNPN-UHFFFAOYSA-N
CNC(=O)CCNC(=O)C1=CC=CC(=C1)C(=O)N
C12H15N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
249.27 g/mol
Property Name
XLogP3-AA
Property Value
-0.7
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
249.11134135 g/mol
Property Name
Monoisotopic Mass
Property Value
249.11134135 g/mol
Property Name
Topological Polar Surface Area
Property Value
101 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
331
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
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