| CAS Number | 851636-83-4 |
| Catalog Number | AG008G45(AGN-PC-0LVF32) |
| Chemical Name | 1H-Indole-3-acetamide, 5-(3-methylphenyl)-1-octyl- |
| IUPAC Name | 2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide |
| InChI | InChI=1S/C25H32N2O/c1-3-4-5-6-7-8-14-27-18-22(17-25(26)28)23-16-21(12-13-24(23)27)20-11-9-10-19(2)15-20/h9-13,15-16,18H,3-8,14,17H2,1-2H3,(H2,26,28) |
| InChI Key | QIXBOOVPFRZHQQ-UHFFFAOYSA-N |
| MDL Number | MFCD22572757 |
| Molecular Formula | C25H32N2O |
| Molecular Weight | 376.5344 |
| SMILES | C(CCCCCCC)N1C=C(C2=CC(=CC=C12)C=1C=C(C=CC1)C)CC(=O)N |
| Synonyms | cysmethynil,
Cysmethynil,
851636-83-4,
CHEMBL240860,
2-(1-octyl-5-m-tolyl-1H-indol-3-yl)acetamide,
1H-Indole-3-acetamide, 5-(3-methylphenyl)-1-octyl-,
AC1OCFXW,
SCHEMBL2013327,
CTK2I4346,
DTXSID90426093,
BCP21581,
BDBM50327696,
ZINC14208731,
AKOS032947852,
9J20,
2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide,
A-119044,
CID6918831,
C530692,
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| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 376.251g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 376.544g/mol |
| Monoisotopic Mass | 376.251g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 48A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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