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

C22H26N2O2 — CID 10132599

IUPAC[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(2-phenylethyl)carbamate
SMILESO=C(O[C@H]1CN2CCC1CC2)N(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-22(26-21-17-23-14-12-19(21)13-15-23)24(20-9-5-2-6-10-20)16-11-18-7-3-1-4-8-18/h1-10,19,21H,11-17H2/t21-/m0/s1
InChIKeyKZJQTCGYGSMOSC-NRFANRHFSA-N
MW350.46 g/mol
LogP3.97
Rot. Bonds5

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

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(2-phenylethyl)carbamate (PubChem CID 10132599) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(2-phenylethyl)carbamate
PubChem CID10132599
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(2-phenylethyl)carbamate
SMILESO=C(O[C@H]1CN2CCC1CC2)N(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-22(26-21-17-23-14-12-19(21)13-15-23)24(20-9-5-2-6-10-20)16-11-18-7-3-1-4-8-18/h1-10,19,21H,11-17H2/t21-/m0/s1
InChIKeyKZJQTCGYGSMOSC-NRFANRHFSA-N
XLogP3.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
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-phenyl-N-(2-phenylethyl)carbamate?
The IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(2-phenylethyl)carbamate (CID 10132599) is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(2-phenylethyl)carbamate.
What is the SMILES notation for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(2-phenylethyl)carbamate?
The canonical SMILES for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(2-phenylethyl)carbamate is O=C(O[C@H]1CN2CCC1CC2)N(CCc1ccccc1)c1ccccc1.
What is the InChIKey of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(2-phenylethyl)carbamate?
The InChIKey is KZJQTCGYGSMOSC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(26-21-17-23-14-12-19(21)13-15-23)24(20-9-5-2-6-10-20)16-11-18-7-3-1-4-8-18/h1-10,19,21H,11-17H2/t21-/m0/s1.
What are the key properties of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(2-phenylethyl)carbamate?
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(2-phenylethyl)carbamate has a molecular weight of 350.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 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-phenyl-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 10132599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).