2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride

C21H26ClN3O2 — CID 3086997

IUPAC2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride
SMILESCC(C)(C)NCCOc1ccccc1C(=O)Nc1cccc2[nH]ccc12.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-21(2,3)23-13-14-26-19-10-5-4-7-16(19)20(25)24-18-9-6-8-17-15(18)11-12-22-17;/h4-12,22-23H,13-14H2,1-3H3,(H,24,25);1H
InChIKeyZBONZTOIRWPPET-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.61
Rot. Bonds6

About 2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride

2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride (PubChem CID 3086997) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride
PubChem CID3086997
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride
SMILESCC(C)(C)NCCOc1ccccc1C(=O)Nc1cccc2[nH]ccc12.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-21(2,3)23-13-14-26-19-10-5-4-7-16(19)20(25)24-18-9-6-8-17-15(18)11-12-22-17;/h4-12,22-23H,13-14H2,1-3H3,(H,24,25);1H
InChIKeyZBONZTOIRWPPET-UHFFFAOYSA-N
XLogP4.61
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.61
H-Bond Donors ≤ 53
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 2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride?
The IUPAC name of 2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride (CID 3086997) is 2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride?
The canonical SMILES for 2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride is CC(C)(C)NCCOc1ccccc1C(=O)Nc1cccc2[nH]ccc12.Cl.
What is the InChIKey of 2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride?
The InChIKey is ZBONZTOIRWPPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-21(2,3)23-13-14-26-19-10-5-4-7-16(19)20(25)24-18-9-6-8-17-15(18)11-12-22-17;/h4-12,22-23H,13-14H2,1-3H3,(H,24,25);1H.
What are the key properties of 2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride?
2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 3086997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).