N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide

C23H28N2O — CID 134869175

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide
SMILESCCc1cccc(C(=O)NC2CN3CCC2CC3)c1Cc1ccccc1
InChIInChI=1S/C23H28N2O/c1-2-18-9-6-10-20(21(18)15-17-7-4-3-5-8-17)23(26)24-22-16-25-13-11-19(22)12-14-25/h3-10,19,22H,2,11-16H2,1H3,(H,24,26)
InChIKeyRDOPHGCNZVVGGD-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.66
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide (PubChem CID 134869175) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide
PubChem CID134869175
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide
SMILESCCc1cccc(C(=O)NC2CN3CCC2CC3)c1Cc1ccccc1
InChIInChI=1S/C23H28N2O/c1-2-18-9-6-10-20(21(18)15-17-7-4-3-5-8-17)23(26)24-22-16-25-13-11-19(22)12-14-25/h3-10,19,22H,2,11-16H2,1H3,(H,24,26)
InChIKeyRDOPHGCNZVVGGD-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid
CID 24834277
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
CID 55052611
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62167440
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloronaphthalene-1-carboxamide
CID 3996470
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-propoxybenzamide;2,2,2-trifluoroacetic acid
CID 45381613
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-5-phenylbenzamide
CID 11415960
3-(aminomethyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18069977
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
CID 69380368
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
CID 14578824

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide (CID 134869175) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide is CCc1cccc(C(=O)NC2CN3CCC2CC3)c1Cc1ccccc1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide?
The InChIKey is RDOPHGCNZVVGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-2-18-9-6-10-20(21(18)15-17-7-4-3-5-8-17)23(26)24-22-16-25-13-11-19(22)12-14-25/h3-10,19,22H,2,11-16H2,1H3,(H,24,26).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide has a molecular weight of 348.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide is sourced from PubChem (CID 134869175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).