CID 60750507
PubChem CID
60750507
Structure
Molecular Formula
Status
Non-live
Molecular Weight
287.4 g/mol
Dates
- Create:2012-10-18
Chemical Structure Depiction
2-[(3-cyanophenyl)methyl-methylamino]-N-pentan-2-ylpropanamide
InChI=1S/C17H25N3O/c1-5-7-13(2)19-17(21)14(3)20(4)12-16-9-6-8-15(10-16)11-18/h6,8-10,13-14H,5,7,12H2,1-4H3,(H,19,21)
JJMAURNFRZXDHX-UHFFFAOYSA-N
CCCC(C)NC(=O)C(C)N(C)CC1=CC(=CC=C1)C#N
C17H25N3O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
287.4 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
287.199762429 g/mol
Property Name
Monoisotopic Mass
Property Value
287.199762429 g/mol
Property Name
Topological Polar Surface Area
Property Value
56.1 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
373
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
Old substance
Old substance
Old substance
CONTENTS