2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C23H35N3O — CID 69090171

IUPAC2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCN(CCN1C2CCC1CC(c1ccccc1C(N)=O)C2)C1CCCCC1
InChIInChI=1S/C23H35N3O/c1-25(18-7-3-2-4-8-18)13-14-26-19-11-12-20(26)16-17(15-19)21-9-5-6-10-22(21)23(24)27/h5-6,9-10,17-20H,2-4,7-8,11-16H2,1H3,(H2,24,27)
InChIKeyGVYCANYYZQYTJL-UHFFFAOYSA-N
MW369.55 g/mol
LogP3.76
Rot. Bonds6

About 2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 69090171) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID69090171
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCN(CCN1C2CCC1CC(c1ccccc1C(N)=O)C2)C1CCCCC1
InChIInChI=1S/C23H35N3O/c1-25(18-7-3-2-4-8-18)13-14-26-19-11-12-20(26)16-17(15-19)21-9-5-6-10-22(21)23(24)27/h5-6,9-10,17-20H,2-4,7-8,11-16H2,1H3,(H2,24,27)
InChIKeyGVYCANYYZQYTJL-UHFFFAOYSA-N
XLogP3.76
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide with MolForge

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Related Compounds

2-[8-[2-[(4,4-difluorocyclohexyl)methyl-(2-hydroxyacetyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 154484939
2-hydroxy-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 143770547
2-(3-sulfanylcyclohexyl)benzamide
CID 166057237
2-(3,5-diaminocyclohexyl)benzamide
CID 68506787
3-[8-(3-benzamidopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide
CID 67152075
3-[(1R,5R)-8-[2-[(4,4-difluorocyclohexyl)methyl-(2-hydroxyacetyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide
CID 25211083
2-[1-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl]piperidin-4-yl]benzoic acid
CID 136547999
2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 68749211
3-[(1R,5S)-8-[2-[cyclohexylmethyl(dimethylsulfamoyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67183439
2-(1-aminopiperidin-4-yl)benzamide
CID 174916154
2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide
CID 175757308
2-[[cyclohexyl(methyl)amino]methyl]benzenecarbothioamide
CID 24707191

Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 69090171) is 2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is CN(CCN1C2CCC1CC(c1ccccc1C(N)=O)C2)C1CCCCC1.
What is the InChIKey of 2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is GVYCANYYZQYTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-25(18-7-3-2-4-8-18)13-14-26-19-11-12-20(26)16-17(15-19)21-9-5-6-10-22(21)23(24)27/h5-6,9-10,17-20H,2-4,7-8,11-16H2,1H3,(H2,24,27).
What are the key properties of 2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 369.55 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-[cyclohexyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 69090171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).