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102121-25-5 | Benzoic acid, 4-[[[3,4-bis(1-methylethyl)phenyl]amino]carbonyl]-
CAS No: 102121-25-5 Catalog No: AG0006OH MDL No:
Product Description
Catalog Number:
AG0006OH
Chemical Name:
Benzoic acid, 4-[[[3,4-bis(1-methylethyl)phenyl]amino]carbonyl]-
CAS Number:
102121-25-5
Molecular Formula:
C20H23NO3
Molecular Weight:
325.4015
IUPAC Name:
4-[[3,4-di(propan-2-yl)phenyl]carbamoyl]benzoic acid
InChI:
InChI=1S/C20H23NO3/c1-12(2)17-10-9-16(11-18(17)13(3)4)21-19(22)14-5-7-15(8-6-14)20(23)24/h5-13H,1-4H3,(H,21,22)(H,23,24)
InChI Key:
HRYMPVXFMWALGO-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)O)Nc1ccc(c(c1)C(C)C)C(C)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.408g/mol
Monoisotopic Mass:
325.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Retinobenzoic acids. 1. Structure-activity relationships of aromatic amides with retinoidal activity. | Journal of medicinal chemistry 19881101 |
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