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88011-45-4 | Urea, N-[3-(3,3-dimethyl-2,5-dioxo-1-pyrrolidinyl)phenyl]-N'-methyl-
CAS No: 88011-45-4 Catalog No: AG004NVU MDL No:
Product Description
Catalog Number:
AG004NVU
Chemical Name:
Urea, N-[3-(3,3-dimethyl-2,5-dioxo-1-pyrrolidinyl)phenyl]-N'-methyl-
CAS Number:
88011-45-4
Molecular Formula:
C14H17N3O3
Molecular Weight:
275.3031
IUPAC Name:
1-[3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)phenyl]-3-methylurea
InChI:
InChI=1S/C14H17N3O3/c1-14(2)8-11(18)17(12(14)19)10-6-4-5-9(7-10)16-13(20)15-3/h4-7H,8H2,1-3H3,(H2,15,16,20)
InChI Key:
XRNNOKSCKDKHLK-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1cccc(c1)N1C(=O)CC(C1=O)(C)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.308g/mol
Monoisotopic Mass:
275.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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