2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride

C19H26ClN3O2 — CID 119769061

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H25N3O2.ClH/c23-18(11-13-9-15-5-6-16(10-13)21-15)20-12-19(24)22-8-7-14-3-1-2-4-17(14)22;/h1-4,13,15-16,21H,5-12H2,(H,20,23);1H
InChIKeyOGWKGIYJCLLOEF-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.03
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride (PubChem CID 119769061) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride
PubChem CID119769061
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H25N3O2.ClH/c23-18(11-13-9-15-5-6-16(10-13)21-15)20-12-19(24)22-8-7-14-3-1-2-4-17(14)22;/h1-4,13,15-16,21H,5-12H2,(H,20,23);1H
InChIKeyOGWKGIYJCLLOEF-UHFFFAOYSA-N
XLogP2.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride (CID 119769061) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride?
The InChIKey is OGWKGIYJCLLOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.ClH/c23-18(11-13-9-15-5-6-16(10-13)21-15)20-12-19(24)22-8-7-14-3-1-2-4-17(14)22;/h1-4,13,15-16,21H,5-12H2,(H,20,23);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride is sourced from PubChem (CID 119769061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).