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CID 28884041

PubChem CID
28884041
Structure
CID 28884041_small.png
Molecular Formula
Status
Non-live
Molecular Weight
293.36 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 28884041.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-(4-acetamidoanilino)-N-(3-methoxypropyl)propanamide

2.1.2 InChI

InChI=1S/C15H23N3O3/c1-11(15(20)16-9-4-10-21-3)17-13-5-7-14(8-6-13)18-12(2)19/h5-8,11,17H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)/t11-/m1/s1

2.1.3 InChIKey

QIJSWTLSTMLWOK-LLVKDONJSA-N

2.1.4 SMILES

C[C@H](C(=O)NCCCOC)NC1=CC=C(C=C1)NC(=O)C

2.2 Molecular Formula

C15H23N3O3

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
293.36 g/mol
Property Name
XLogP3-AA
Property Value
1
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
8
Property Name
Exact Mass
Property Value
293.17394160 g/mol
Property Name
Monoisotopic Mass
Property Value
293.17394160 g/mol
Property Name
Topological Polar Surface Area
Property Value
79.5 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
328
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

5 Information Sources

CONTENTS