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CID 46060226

PubChem CID
46060226
Structure
CID 46060226_small.png
Molecular Formula
Status
Non-live
Molecular Weight
364.5 g/mol
Dates
  • Create:
    2010-06-22

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 46060226.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[[4-(2-hydroxypropyl)morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide

2.1.2 InChI

InChI=1S/C20H32N2O4/c1-15(2)11-22(20(24)17-5-7-18(25-4)8-6-17)14-19-13-21(9-10-26-19)12-16(3)23/h5-8,15-16,19,23H,9-14H2,1-4H3

2.1.3 InChIKey

PZYQOROHQJFGDF-UHFFFAOYSA-N

2.1.4 SMILES

CC(C)CN(CC1CN(CCO1)CC(C)O)C(=O)C2=CC=C(C=C2)OC

2.2 Molecular Formula

C20H32N2O4

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
364.5 g/mol
Property Name
XLogP3-AA
Property Value
2.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
364.23620751 g/mol
Property Name
Monoisotopic Mass
Property Value
364.23620751 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.2 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
424
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
2
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