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88451-10-9 | Urea, N-butyl-N'-(2,3-dimethylphenyl)-N-(phenylmethyl)-
CAS No: 88451-10-9 Catalog No: AG004GTC MDL No:
Product Description
Catalog Number:
AG004GTC
Chemical Name:
Urea, N-butyl-N'-(2,3-dimethylphenyl)-N-(phenylmethyl)-
CAS Number:
88451-10-9
Molecular Formula:
C20H26N2O
Molecular Weight:
310.4332
IUPAC Name:
1-benzyl-1-butyl-3-(2,3-dimethylphenyl)urea
InChI:
InChI=1S/C20H26N2O/c1-4-5-14-22(15-18-11-7-6-8-12-18)20(23)21-19-13-9-10-16(2)17(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChI Key:
JOUBLGWLPRKRPX-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1cccc(c1C)C)Cc1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.205g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.441g/mol
Monoisotopic Mass:
310.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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