1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole

C22H24N4O2 — CID 132837795

IUPAC1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole
SMILESCCOc1ccccc1OCc1cn(CCCn2ccc3ccccc32)nn1
InChIInChI=1S/C22H24N4O2/c1-2-27-21-10-5-6-11-22(21)28-17-19-16-26(24-23-19)14-7-13-25-15-12-18-8-3-4-9-20(18)25/h3-6,8-12,15-16H,2,7,13-14,17H2,1H3
InChIKeyDCYKEXRGELJHCZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.30
Rot. Bonds9

About 1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole

1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole (PubChem CID 132837795) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole.

Molecular Properties

Compound Name1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole
PubChem CID132837795
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole
SMILESCCOc1ccccc1OCc1cn(CCCn2ccc3ccccc32)nn1
InChIInChI=1S/C22H24N4O2/c1-2-27-21-10-5-6-11-22(21)28-17-19-16-26(24-23-19)14-7-13-25-15-12-18-8-3-4-9-20(18)25/h3-6,8-12,15-16H,2,7,13-14,17H2,1H3
InChIKeyDCYKEXRGELJHCZ-UHFFFAOYSA-N
XLogP4.30
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine
CID 116642246
4-[(1-benzyltriazol-4-yl)methoxy]-3-ethoxybenzaldehyde
CID 83525282
2-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]isoquinolin-1-one
CID 138051958
1-methyl-4-(naphthalen-1-yloxymethyl)triazole
CID 102499478
4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide
CID 9151418
N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040783
3-chloro-5-ethoxy-4-hydroxy-N-(3-indol-1-ylpropyl)benzamide
CID 112768654
1-(3-ethylsulfonylpropyl)indole
CID 65097244
3-indol-1-ylpropan-1-amine
CID 2512786
3-indol-1-ylpropane-1-thiol
CID 139540347
1-(3-iodopropyl)indole
CID 11323600

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole?
The IUPAC name of 1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole (CID 132837795) is 1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole.
What is the SMILES notation for 1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole?
The canonical SMILES for 1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole is CCOc1ccccc1OCc1cn(CCCn2ccc3ccccc32)nn1.
What is the InChIKey of 1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole?
The InChIKey is DCYKEXRGELJHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-27-21-10-5-6-11-22(21)28-17-19-16-26(24-23-19)14-7-13-25-15-12-18-8-3-4-9-20(18)25/h3-6,8-12,15-16H,2,7,13-14,17H2,1H3.
What are the key properties of 1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole?
1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole has a molecular weight of 376.46 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(2-ethoxyphenoxy)methyl]triazol-1-yl]propyl]indole is sourced from PubChem (CID 132837795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).