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Home > Indoles and Oxindole > 910546-65-5
910546-65-5 | 1H-Indole-3-acetamide, 5-(3-methylphenyl)-1-(2-methylpropyl)-
CAS No: 910546-65-5 Catalog No: AG006FFQ MDL No:
Product Description
Catalog Number:
AG006FFQ
Chemical Name:
1H-Indole-3-acetamide, 5-(3-methylphenyl)-1-(2-methylpropyl)-
CAS Number:
910546-65-5
Molecular Formula:
C21H24N2O
Molecular Weight:
320.4281
IUPAC Name:
2-[5-(3-methylphenyl)-1-(2-methylpropyl)indol-3-yl]acetamide
InChI:
InChI=1S/C21H24N2O/c1-14(2)12-23-13-18(11-21(22)24)19-10-17(7-8-20(19)23)16-6-4-5-15(3)9-16/h4-10,13-14H,11-12H2,1-3H3,(H2,22,24)
InChI Key:
LMBKWHGIBNALBM-UHFFFAOYSA-N
SMILES:
CC(Cn1cc(c2c1ccc(c2)c1cccc(c1)C)CC(=O)N)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.436g/mol
Monoisotopic Mass:
320.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Quantitative structure-activity relationship (QSAR) of indoloacetamides as inhibitors of human isoprenylcysteine carboxyl methyltransferase. | Bioorganic & medicinal chemistry letters 20070215 |
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