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Home > Indoles and Oxindole > 923291-75-2
923291-75-2 | 1H-Indole-1-butanamide, 3-cyano-N-(2-phenylethyl)-
CAS No: 923291-75-2 Catalog No: AG0067PI MDL No:
Product Description
Catalog Number:
AG0067PI
Chemical Name:
1H-Indole-1-butanamide, 3-cyano-N-(2-phenylethyl)-
CAS Number:
923291-75-2
Molecular Formula:
C21H21N3O
Molecular Weight:
331.4109
IUPAC Name:
4-(3-cyanoindol-1-yl)-N-(2-phenylethyl)butanamide
InChI:
InChI=1S/C21H21N3O/c22-15-18-16-24(20-10-5-4-9-19(18)20)14-6-11-21(25)23-13-12-17-7-2-1-3-8-17/h1-5,7-10,16H,6,11-14H2,(H,23,25)
InChI Key:
OGKSOKAHRUOLFZ-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c2c1cccc2)CCCC(=O)NCCc1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.419g/mol
Monoisotopic Mass:
331.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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