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88011-54-5 | Urea, N-butyl-N'-[3-(3-ethyl-3-methyl-2,5-dioxo-1-pyrrolidinyl)phenyl]-
CAS No: 88011-54-5 Catalog No: AG004KHE MDL No:
Product Description
Catalog Number:
AG004KHE
Chemical Name:
Urea, N-butyl-N'-[3-(3-ethyl-3-methyl-2,5-dioxo-1-pyrrolidinyl)phenyl]-
CAS Number:
88011-54-5
Molecular Formula:
C18H25N3O3
Molecular Weight:
331.4094
IUPAC Name:
1-butyl-3-[3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]urea
InChI:
InChI=1S/C18H25N3O3/c1-4-6-10-19-17(24)20-13-8-7-9-14(11-13)21-15(22)12-18(3,5-2)16(21)23/h7-9,11H,4-6,10,12H2,1-3H3,(H2,19,20,24)
InChI Key:
VIHUGBSYAMBHEC-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)Nc1cccc(c1)N1C(=O)CC(C1=O)(C)CC
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.19g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.416g/mol
Monoisotopic Mass:
331.19g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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