[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate

C20H22N2O2 — CID 10567858

IUPAC[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2
InChIInChI=1S/C20H22N2O2/c23-20(24-19-14-22-12-10-16(19)11-13-22)21-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,21,23)/t19-/m0/s1
InChIKeyUVVAXSWZJPKXLR-IBGZPJMESA-N
MW322.41 g/mol
LogP4.00
Rot. Bonds3

About [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate (PubChem CID 10567858) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate
PubChem CID10567858
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2
InChIInChI=1S/C20H22N2O2/c23-20(24-19-14-22-12-10-16(19)11-13-22)21-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,21,23)/t19-/m0/s1
InChIKeyUVVAXSWZJPKXLR-IBGZPJMESA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate (CID 10567858) is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate is O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2.
What is the InChIKey of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is UVVAXSWZJPKXLR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(24-19-14-22-12-10-16(19)11-13-22)21-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,21,23)/t19-/m0/s1.
What are the key properties of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate?
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 322.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 10567858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).