6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide

C23H26F3N3O2 — CID 19422072

IUPAC6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide
SMILESO=C(CCCCCNCCc1c[nH]c2ccc(O)cc12)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)17-5-4-6-18(13-17)29-22(31)7-2-1-3-11-27-12-10-16-15-28-21-9-8-19(30)14-20(16)21/h4-6,8-9,13-15,27-28,30H,1-3,7,10-12H2,(H,29,31)
InChIKeyXGAWHQQLHAENHM-UHFFFAOYSA-N
MW433.47 g/mol
LogP5.22
Rot. Bonds10

About 6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide

6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide (PubChem CID 19422072) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide.

Molecular Properties

Compound Name6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide
PubChem CID19422072
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide
SMILESO=C(CCCCCNCCc1c[nH]c2ccc(O)cc12)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)17-5-4-6-18(13-17)29-22(31)7-2-1-3-11-27-12-10-16-15-28-21-9-8-19(30)14-20(16)21/h4-6,8-9,13-15,27-28,30H,1-3,7,10-12H2,(H,29,31)
InChIKeyXGAWHQQLHAENHM-UHFFFAOYSA-N
XLogP5.22
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide?
The IUPAC name of 6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide (CID 19422072) is 6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide.
What is the SMILES notation for 6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide?
The canonical SMILES for 6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide is O=C(CCCCCNCCc1c[nH]c2ccc(O)cc12)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide?
The InChIKey is XGAWHQQLHAENHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c24-23(25,26)17-5-4-6-18(13-17)29-22(31)7-2-1-3-11-27-12-10-16-15-28-21-9-8-19(30)14-20(16)21/h4-6,8-9,13-15,27-28,30H,1-3,7,10-12H2,(H,29,31).
What are the key properties of 6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide?
6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide has a molecular weight of 433.47 g/mol, XLogP of 5.22, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-N-[3-(trifluoromethyl)phenyl]hexanamide is sourced from PubChem (CID 19422072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).