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503438-79-7 | Butanamide, N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-(methylamino)-, (2S)-
CAS No: 503438-79-7 Catalog No: AG006UOS MDL No:
Product Description
Catalog Number:
AG006UOS
Chemical Name:
Butanamide, N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-(methylamino)-, (2S)-
CAS Number:
503438-79-7
Molecular Formula:
C16H23N3O
Molecular Weight:
273.3733
IUPAC Name:
(2S)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-(methylamino)butanamide
InChI:
InChI=1S/C16H23N3O/c1-11(2)15(17-3)16(20)18-9-8-12-10-19-14-7-5-4-6-13(12)14/h4-7,10-11,15,17,19H,8-9H2,1-3H3,(H,18,20)/t15-/m0/s1
InChI Key:
VLMFQCOOVDYSFT-HNNXBMFYSA-N
SMILES:
CN[C@H](C(=O)NCCc1c[nH]c2c1cccc2)C(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
273.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
273.38g/mol
Monoisotopic Mass:
273.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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