4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide

C21H25N3O4 — CID 22897048

IUPAC4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)cc2)o1
InChIInChI=1S/C21H25N3O4/c1-13-20(15-9-11-24(13)12-10-15)23-21(26)16-3-5-17(6-4-16)27-19-8-7-18(28-19)22-14(2)25/h3-8,13,15,20H,9-12H2,1-2H3,(H,22,25)(H,23,26)/t13-,20-/m0/s1
InChIKeyGWVOEAGGNXRMHZ-RBZFPXEDSA-N
MW383.45 g/mol
LogP3.24
Rot. Bonds5

About 4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide

4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide (PubChem CID 22897048) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide.

Molecular Properties

Compound Name4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide
PubChem CID22897048
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)cc2)o1
InChIInChI=1S/C21H25N3O4/c1-13-20(15-9-11-24(13)12-10-15)23-21(26)16-3-5-17(6-4-16)27-19-8-7-18(28-19)22-14(2)25/h3-8,13,15,20H,9-12H2,1-2H3,(H,22,25)(H,23,26)/t13-,20-/m0/s1
InChIKeyGWVOEAGGNXRMHZ-RBZFPXEDSA-N
XLogP3.24
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383823
4-(4-fluorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383576
4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383864
4-[(5-cyano-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383958
4-[(5-acetamido-1,2-oxazol-3-yl)sulfanyl]-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897053
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide
CID 18399841
4-[(4-acetyl-1,3-thiazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383486
4-(3-acetamidophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383586
4-(4-acetylphenyl)sulfanyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897021
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-(5-methylfuran-2-yl)sulfanylbenzamide
CID 22897082
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-[(4-morpholin-4-yl-1,3-oxazol-2-yl)oxy]benzamide
CID 22897040
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]oxy]benzamide
CID 22897002

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide?
The IUPAC name of 4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide (CID 22897048) is 4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide.
What is the SMILES notation for 4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide?
The canonical SMILES for 4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide is CC(=O)Nc1ccc(Oc2ccc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)cc2)o1.
What is the InChIKey of 4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide?
The InChIKey is GWVOEAGGNXRMHZ-RBZFPXEDSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-13-20(15-9-11-24(13)12-10-15)23-21(26)16-3-5-17(6-4-16)27-19-8-7-18(28-19)22-14(2)25/h3-8,13,15,20H,9-12H2,1-2H3,(H,22,25)(H,23,26)/t13-,20-/m0/s1.
What are the key properties of 4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide?
4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide is sourced from PubChem (CID 22897048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).