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88451-13-2 | Urea, N-butyl-N'-(3,4-dimethylphenyl)-N-(phenylmethyl)-
CAS No: 88451-13-2 Catalog No: AG004INL MDL No:
Product Description
Catalog Number:
AG004INL
Chemical Name:
Urea, N-butyl-N'-(3,4-dimethylphenyl)-N-(phenylmethyl)-
CAS Number:
88451-13-2
Molecular Formula:
C20H26N2O
Molecular Weight:
310.4332
IUPAC Name:
1-benzyl-1-butyl-3-(3,4-dimethylphenyl)urea
InChI:
InChI=1S/C20H26N2O/c1-4-5-13-22(15-18-9-7-6-8-10-18)20(23)21-19-12-11-16(2)17(3)14-19/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23)
InChI Key:
RTSCWIYJSUSUQX-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1ccc(c(c1)C)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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