CID 47163709
PubChem CID
47163709
Structure
Molecular Formula
Status
Non-live
Molecular Weight
277.32 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
3-[(3-acetamidopropanoylamino)methyl]-N-methylbenzamide
InChI=1S/C14H19N3O3/c1-10(18)16-7-6-13(19)17-9-11-4-3-5-12(8-11)14(20)15-2/h3-5,8H,6-7,9H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)
PUEGKXSXXOZGNO-UHFFFAOYSA-N
CC(=O)NCCC(=O)NCC1=CC(=CC=C1)C(=O)NC
C14H19N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
277.32 g/mol
Property Name
XLogP3-AA
Property Value
-0.4
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
6
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
87.3 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
Old substance
CONTENTS