3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

C20H24N2O3 — CID 52949439

IUPAC3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCc1ccc(CN2[C@@H]3CC[C@H]2CC(Oc2cccc(C(N)=O)c2)C3)o1
InChIInChI=1S/C20H24N2O3/c1-13-5-8-18(24-13)12-22-15-6-7-16(22)11-19(10-15)25-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,19H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,19?
InChIKeyRMNBHDPKKIBKOP-MCPYQZEQSA-N
MW340.42 g/mol
LogP3.26
Rot. Bonds5

About 3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (PubChem CID 52949439) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
PubChem CID52949439
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCc1ccc(CN2[C@@H]3CC[C@H]2CC(Oc2cccc(C(N)=O)c2)C3)o1
InChIInChI=1S/C20H24N2O3/c1-13-5-8-18(24-13)12-22-15-6-7-16(22)11-19(10-15)25-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,19H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,19?
InChIKeyRMNBHDPKKIBKOP-MCPYQZEQSA-N
XLogP3.26
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The IUPAC name of 3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (CID 52949439) is 3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is Cc1ccc(CN2[C@@H]3CC[C@H]2CC(Oc2cccc(C(N)=O)c2)C3)o1.
What is the InChIKey of 3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The InChIKey is RMNBHDPKKIBKOP-MCPYQZEQSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-5-8-18(24-13)12-22-15-6-7-16(22)11-19(10-15)25-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,19H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,19?.
What are the key properties of 3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,5R)-8-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is sourced from PubChem (CID 52949439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).