2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide

C25H29F3N2O3 — CID 21273611

IUPAC2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide
SMILESCCCN(CC(O)COc1ccccc1CCCc1cccc2[nH]ccc12)C(=O)C(F)(F)F
InChIInChI=1S/C25H29F3N2O3/c1-2-15-30(24(32)25(26,27)28)16-20(31)17-33-23-12-4-3-7-19(23)10-5-8-18-9-6-11-22-21(18)13-14-29-22/h3-4,6-7,9,11-14,20,29,31H,2,5,8,10,15-17H2,1H3
InChIKeyNTALXRMEBXLVSA-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.88
Rot. Bonds11

About 2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide

2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide (PubChem CID 21273611) has the molecular formula C25H29F3N2O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide
PubChem CID21273611
Molecular FormulaC25H29F3N2O3
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide
SMILESCCCN(CC(O)COc1ccccc1CCCc1cccc2[nH]ccc12)C(=O)C(F)(F)F
InChIInChI=1S/C25H29F3N2O3/c1-2-15-30(24(32)25(26,27)28)16-20(31)17-33-23-12-4-3-7-19(23)10-5-8-18-9-6-11-22-21(18)13-14-29-22/h3-4,6-7,9,11-14,20,29,31H,2,5,8,10,15-17H2,1H3
InChIKeyNTALXRMEBXLVSA-UHFFFAOYSA-N
XLogP4.88
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide with MolForge

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Related Compounds

but-2-enedioic acid;1-[2-[3-(1H-indol-4-yl)propyl]phenoxy]-3-(propylamino)propan-2-ol
CID 53446663
but-2-enedioate;1-[2-[3-(1H-indol-4-yl)propyl]phenoxy]-3-(propylamino)propan-2-ol
CID 53422007
1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol
CID 139632843
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one
CID 3066297
(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
(2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol
CID 67664959
1-(dimethylamino)-3-[2-(6-phenylhexyl)phenoxy]propan-2-ol;hydrochloride
CID 57497649
1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol
CID 166212862
2,2,2-trifluoro-N-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]acetamide
CID 542557
N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide
CID 60958905
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
1-[tert-butyl-[[4-(dimethylamino)phenyl]methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 162664102

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide (CID 21273611) is 2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide is CCCN(CC(O)COc1ccccc1CCCc1cccc2[nH]ccc12)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide?
The InChIKey is NTALXRMEBXLVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O3/c1-2-15-30(24(32)25(26,27)28)16-20(31)17-33-23-12-4-3-7-19(23)10-5-8-18-9-6-11-22-21(18)13-14-29-22/h3-4,6-7,9,11-14,20,29,31H,2,5,8,10,15-17H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide?
2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide has a molecular weight of 462.51 g/mol, XLogP of 4.88, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-hydroxy-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propyl]-N-propylacetamide is sourced from PubChem (CID 21273611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).