CID 47109174
PubChem CID
47109174
Structure
Molecular Formula
Status
Non-live
Molecular Weight
248.32 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
4-acetamido-N-(3,4-dimethylphenyl)butanamide
InChI=1S/C14H20N2O2/c1-10-6-7-13(9-11(10)2)16-14(18)5-4-8-15-12(3)17/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)(H,16,18)
GKULJWKCVWQYBL-UHFFFAOYSA-N
CC1=C(C=C(C=C1)NC(=O)CCCNC(=O)C)C
C14H20N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
248.32 g/mol
Property Name
XLogP3
Property Value
1.7
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
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