N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide

C21H28N2O — CID 58011359

IUPACN-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide
SMILESCCn1cc(C(=O)NCC23CCC(CC2)CC3)c2c(C)cccc21
InChIInChI=1S/C21H28N2O/c1-3-23-13-17(19-15(2)5-4-6-18(19)23)20(24)22-14-21-10-7-16(8-11-21)9-12-21/h4-6,13,16H,3,7-12,14H2,1-2H3,(H,22,24)
InChIKeyTVQPWRZYQDHCLL-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.67
Rot. Bonds4

About N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide

N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide (PubChem CID 58011359) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide
PubChem CID58011359
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide
SMILESCCn1cc(C(=O)NCC23CCC(CC2)CC3)c2c(C)cccc21
InChIInChI=1S/C21H28N2O/c1-3-23-13-17(19-15(2)5-4-6-18(19)23)20(24)22-14-21-10-7-16(8-11-21)9-12-21/h4-6,13,16H,3,7-12,14H2,1-2H3,(H,22,24)
InChIKeyTVQPWRZYQDHCLL-UHFFFAOYSA-N
XLogP4.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide?
The IUPAC name of N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide (CID 58011359) is N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide.
What is the SMILES notation for N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide?
The canonical SMILES for N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide is CCn1cc(C(=O)NCC23CCC(CC2)CC3)c2c(C)cccc21.
What is the InChIKey of N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide?
The InChIKey is TVQPWRZYQDHCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-3-23-13-17(19-15(2)5-4-6-18(19)23)20(24)22-14-21-10-7-16(8-11-21)9-12-21/h4-6,13,16H,3,7-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide?
N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide is sourced from PubChem (CID 58011359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).