2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide

C20H24N2O2 — CID 172583777

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide
SMILESN#Cc1cccc([C@@]2(CNC(=O)CC3CC4CCC3C4)CCO2)c1
InChIInChI=1S/C20H24N2O2/c21-12-15-2-1-3-18(10-15)20(6-7-24-20)13-22-19(23)11-17-9-14-4-5-16(17)8-14/h1-3,10,14,16-17H,4-9,11,13H2,(H,22,23)/t14?,16?,17?,20-/m0/s1
InChIKeyGVZWBCUNLNZHGS-PHQZTZODSA-N
MW324.42 g/mol
LogP3.12
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide (PubChem CID 172583777) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide
PubChem CID172583777
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide
SMILESN#Cc1cccc([C@@]2(CNC(=O)CC3CC4CCC3C4)CCO2)c1
InChIInChI=1S/C20H24N2O2/c21-12-15-2-1-3-18(10-15)20(6-7-24-20)13-22-19(23)11-17-9-14-4-5-16(17)8-14/h1-3,10,14,16-17H,4-9,11,13H2,(H,22,23)/t14?,16?,17?,20-/m0/s1
InChIKeyGVZWBCUNLNZHGS-PHQZTZODSA-N
XLogP3.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide (CID 172583777) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide is N#Cc1cccc([C@@]2(CNC(=O)CC3CC4CCC3C4)CCO2)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide?
The InChIKey is GVZWBCUNLNZHGS-PHQZTZODSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-12-15-2-1-3-18(10-15)20(6-7-24-20)13-22-19(23)11-17-9-14-4-5-16(17)8-14/h1-3,10,14,16-17H,4-9,11,13H2,(H,22,23)/t14?,16?,17?,20-/m0/s1.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide is sourced from PubChem (CID 172583777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).