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Home > Indoles and Oxindole > 239076-86-9
239076-86-9 | 1H-Indole-3-propanamide, N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-
CAS No: 239076-86-9 Catalog No: AG006TY4 MDL No:
Product Description
Catalog Number:
AG006TY4
Chemical Name:
1H-Indole-3-propanamide, N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-
CAS Number:
239076-86-9
Molecular Formula:
C20H22N2O2
Molecular Weight:
322.4009
IUPAC Name:
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide
InChI:
InChI=1S/C20H22N2O2/c23-14-17(12-15-6-2-1-3-7-15)22-20(24)11-10-16-13-21-19-9-5-4-8-18(16)19/h1-9,13,17,21,23H,10-12,14H2,(H,22,24)/t17-/m0/s1
InChI Key:
ROLKFPMYBMVJCD-KRWDZBQOSA-N
SMILES:
OC[C@H](Cc1ccccc1)NC(=O)CCc1c[nH]c2c1cccc2
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
322.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
322.408g/mol
Monoisotopic Mass:
322.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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