CID 47343284
PubChem CID
47343284
Structure
Molecular Formula
Status
Non-live
Molecular Weight
277.32 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
3-N-[3-oxo-3-(propylamino)propyl]benzene-1,3-dicarboxamide
InChI=1S/C14H19N3O3/c1-2-7-16-12(18)6-8-17-14(20)11-5-3-4-10(9-11)13(15)19/h3-5,9H,2,6-8H2,1H3,(H2,15,19)(H,16,18)(H,17,20)
PXKWRUPYBNMNPI-UHFFFAOYSA-N
CCCNC(=O)CCNC(=O)C1=CC=CC(=C1)C(=O)N
C14H19N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
277.32 g/mol
Property Name
XLogP3-AA
Property Value
0.2
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
7
Property Name
Exact Mass
Property Value
277.14264148 g/mol
Property Name
Monoisotopic Mass
Property Value
277.14264148 g/mol
Property Name
Topological Polar Surface Area
Property Value
101 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
358
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