1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride

C25H30ClN3O — CID 70106637

IUPAC1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride
SMILESCCn1c(-c2ccccc2)c(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21.Cl
InChIInChI=1S/C25H29N3O.ClH/c1-3-28-22-12-8-7-11-21(22)23(24(28)17-9-5-4-6-10-17)25(29)26-18-15-19-13-14-20(16-18)27(19)2;/h4-12,18-20H,3,13-16H2,1-2H3,(H,26,29);1H
InChIKeyRQNUUYVXAIDTIL-UHFFFAOYSA-N
MW423.99 g/mol
LogP5.11
Rot. Bonds4

About 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride

1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride (PubChem CID 70106637) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride
PubChem CID70106637
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC Name1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride
SMILESCCn1c(-c2ccccc2)c(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21.Cl
InChIInChI=1S/C25H29N3O.ClH/c1-3-28-22-12-8-7-11-21(22)23(24(28)17-9-5-4-6-10-17)25(29)26-18-15-19-13-14-20(16-18)27(19)2;/h4-12,18-20H,3,13-16H2,1-2H3,(H,26,29);1H
InChIKeyRQNUUYVXAIDTIL-UHFFFAOYSA-N
XLogP5.11
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.99
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride?
The IUPAC name of 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride (CID 70106637) is 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride is CCn1c(-c2ccccc2)c(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21.Cl.
What is the InChIKey of 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride?
The InChIKey is RQNUUYVXAIDTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O.ClH/c1-3-28-22-12-8-7-11-21(22)23(24(28)17-9-5-4-6-10-17)25(29)26-18-15-19-13-14-20(16-18)27(19)2;/h4-12,18-20H,3,13-16H2,1-2H3,(H,26,29);1H.
What are the key properties of 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride?
1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride is sourced from PubChem (CID 70106637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).