2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide

C23H30N2O2 — CID 46852464

IUPAC2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(C(NC(=O)c2c(C)cccc2C)C23CCC(CC2)CN3C)o1
InChIInChI=1S/C23H30N2O2/c1-15-6-5-7-16(2)20(15)22(26)24-21(19-9-8-17(3)27-19)23-12-10-18(11-13-23)14-25(23)4/h5-9,18,21H,10-14H2,1-4H3,(H,24,26)
InChIKeyHGOOAHFAWANHJW-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.55
Rot. Bonds4

About 2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide

2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 46852464) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide
PubChem CID46852464
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(C(NC(=O)c2c(C)cccc2C)C23CCC(CC2)CN3C)o1
InChIInChI=1S/C23H30N2O2/c1-15-6-5-7-16(2)20(15)22(26)24-21(19-9-8-17(3)27-19)23-12-10-18(11-13-23)14-25(23)4/h5-9,18,21H,10-14H2,1-4H3,(H,24,26)
InChIKeyHGOOAHFAWANHJW-UHFFFAOYSA-N
XLogP4.55
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide with MolForge

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Related Compounds

CID 11421025
CID 11421025
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide
CID 11511019
N-[2-(furan-2-yl)-2-(morpholin-4-yl)ethyl]-4-methylbenzamide
CID 16453204
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(furan-2-yl)ethyl)-3-fluorobenzamide
CID 18577580
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(4,5-dimethylfuran-2-yl)-N-propan-2-ylacetamide
CID 44456004
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(furan-2-yl)-N-propan-2-ylacetamide
CID 44456036
2-chloro-N-[furan-2-yl-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 46852155
3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylpropanamide
CID 2999792
N-[(5-methyl-2-furyl)methyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-13-carboxamide
CID 3239223
N-(2-(dimethylamino)-2-(furan-2-yl)ethyl)-3-(trifluoromethyl)benzamide
CID 4803620
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4882512
N1-(2-(furan-2-yl)-2-morpholinoethyl)-N2-(4-methylbenzyl)oxalamide
CID 12006013

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide (CID 46852464) is 2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(C(NC(=O)c2c(C)cccc2C)C23CCC(CC2)CN3C)o1.
What is the InChIKey of 2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is HGOOAHFAWANHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-15-6-5-7-16(2)20(15)22(26)24-21(19-9-8-17(3)27-19)23-12-10-18(11-13-23)14-25(23)4/h5-9,18,21H,10-14H2,1-4H3,(H,24,26).
What are the key properties of 2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide?
2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 46852464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).