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88452-37-3 | Urea, N'-(2,4-dimethylphenyl)-N-pentyl-N-(phenylmethyl)-
CAS No: 88452-37-3 Catalog No: AG004IN5 MDL No:
Product Description
Catalog Number:
AG004IN5
Chemical Name:
Urea, N'-(2,4-dimethylphenyl)-N-pentyl-N-(phenylmethyl)-
CAS Number:
88452-37-3
Molecular Formula:
C21H28N2O
Molecular Weight:
324.4598
IUPAC Name:
1-benzyl-3-(2,4-dimethylphenyl)-1-pentylurea
InChI:
InChI=1S/C21H28N2O/c1-4-5-9-14-23(16-19-10-7-6-8-11-19)21(24)22-20-13-12-17(2)15-18(20)3/h6-8,10-13,15H,4-5,9,14,16H2,1-3H3,(H,22,24)
InChI Key:
SHUQJLWCMWDDQD-UHFFFAOYSA-N
SMILES:
CCCCCN(C(=O)Nc1ccc(cc1C)C)Cc1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.22g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.468g/mol
Monoisotopic Mass:
324.22g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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