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88048-50-4 | Propanamide, N-[2-(2,2-di-1H-indol-3-ylethyl)phenyl]-2,2-dimethyl-
CAS No: 88048-50-4 Catalog No: AG004FPC MDL No:
Product Description
Catalog Number:
AG004FPC
Chemical Name:
Propanamide, N-[2-(2,2-di-1H-indol-3-ylethyl)phenyl]-2,2-dimethyl-
CAS Number:
88048-50-4
Molecular Formula:
C29H29N3O
Molecular Weight:
435.5601
IUPAC Name:
N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-2,2-dimethylpropanamide
InChI:
InChI=1S/C29H29N3O/c1-29(2,3)28(33)32-25-13-7-4-10-19(25)16-22(23-17-30-26-14-8-5-11-20(23)26)24-18-31-27-15-9-6-12-21(24)27/h4-15,17-18,22,30-31H,16H2,1-3H3,(H,32,33)
InChI Key:
BTAAJHOAQUBING-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1ccccc1CC(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.231g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
435.571g/mol
Monoisotopic Mass:
435.231g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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