CID 47172110
PubChem CID
47172110
Structure
Molecular Formula
Status
Non-live
Molecular Weight
250.30 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
1-methyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
InChI=1S/C12H18N4O2/c1-8(2)14-12(18)16-10-6-4-5-9(7-10)15-11(17)13-3/h4-8H,1-3H3,(H2,13,15,17)(H2,14,16,18)
VGHKDYZRDLYJHE-UHFFFAOYSA-N
CC(C)NC(=O)NC1=CC=CC(=C1)NC(=O)NC
C12H18N4O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
250.30 g/mol
Property Name
XLogP3
Property Value
1.4
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
250.14297583 g/mol
Property Name
Monoisotopic Mass
Property Value
250.14297583 g/mol
Property Name
Topological Polar Surface Area
Property Value
82.3 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
294
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