CID 45729287
PubChem CID
45729287
Structure
Molecular Formula
Status
Non-live
Molecular Weight
248.32 g/mol
Dates
- Create:2010-06-21
Chemical Structure Depiction
3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
InChI=1S/C14H20N2O2/c1-4-8-15-13(17)11(3)16-14(18)12-7-5-6-10(2)9-12/h5-7,9,11H,4,8H2,1-3H3,(H,15,17)(H,16,18)
BOVMLXJYRYQDIL-UHFFFAOYSA-N
CCCNC(=O)C(C)NC(=O)C1=CC=CC(=C1)C
C14H20N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
248.32 g/mol
Property Name
XLogP3-AA
Property Value
2.2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
248.152477885 g/mol
Property Name
Monoisotopic Mass
Property Value
248.152477885 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.2 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
292
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
1
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
Old substance
Old substance
CONTENTS