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CID 47343284

PubChem CID
47343284
Structure
CID 47343284_small.png
Molecular Formula
Status
Non-live
Molecular Weight
277.32 g/mol
Dates
  • Create:
    2010-11-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 47343284.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-N-[3-oxo-3-(propylamino)propyl]benzene-1,3-dicarboxamide

2.1.2 InChI

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)

2.1.3 InChIKey

PXKWRUPYBNMNPI-UHFFFAOYSA-N

2.1.4 SMILES

CCCNC(=O)CCNC(=O)C1=CC=CC(=C1)C(=O)N

2.2 Molecular Formula

C14H19N3O3

3 Chemical and Physical Properties

3.1 Computed Properties

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

5 Information Sources

CONTENTS