[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate

C20H28N2O2 — CID 59291234

IUPAC[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate
SMILESO=C(N[C@H]1CCCC[C@H]1c1ccccc1)O[C@H]1CN2CCC1CC2
InChIInChI=1S/C20H28N2O2/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/h1-3,6-7,16-19H,4-5,8-14H2,(H,21,23)/t17-,18-,19-/m0/s1
InChIKeyVZHPVCYJKUCRSM-FHWLQOOXSA-N
MW328.46 g/mol
LogP3.53
Rot. Bonds3

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

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate (PubChem CID 59291234) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate.

Molecular Properties

Compound Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate
PubChem CID59291234
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate
SMILESO=C(N[C@H]1CCCC[C@H]1c1ccccc1)O[C@H]1CN2CCC1CC2
InChIInChI=1S/C20H28N2O2/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/h1-3,6-7,16-19H,4-5,8-14H2,(H,21,23)/t17-,18-,19-/m0/s1
InChIKeyVZHPVCYJKUCRSM-FHWLQOOXSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2R)-2-phenylcyclohexyl]carbamate
CID 59291559
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
CID 144638928
[(2S)-2-phenylcyclohexyl]urea
CID 141176309
[(1R,2S)-2-phenylcyclohexyl] N-[[(1R,2S)-2-phenylcyclohexyl]oxycarbonylamino]carbamate
CID 134883244
2-methyl-N-[(1R)-2-phenylcyclohexyl]propanamide
CID 170769324
N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032
2-amino-N-(2-phenylcyclopentyl)acetamide
CID 119323270
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-amino-2-phenylacetate
CID 86720689
1-azabicyclo[2.2.2]octan-3-yl N-(2-phenylsulfanylphenyl)carbamate;hydrochloride
CID 22375671
1-azabicyclo[2.2.2]octan-3-yl 2-(methoxycarbonylamino)-2-phenylacetate
CID 67607569
4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673133
1-azabicyclo[2.2.2]octan-3-yl hydrogen carbonate
CID 68769471

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate?
The IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate (CID 59291234) is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate.
What is the SMILES notation for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate?
The canonical SMILES for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate is O=C(N[C@H]1CCCC[C@H]1c1ccccc1)O[C@H]1CN2CCC1CC2.
What is the InChIKey of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate?
The InChIKey is VZHPVCYJKUCRSM-FHWLQOOXSA-N. The full InChI is InChI=1S/C20H28N2O2/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/h1-3,6-7,16-19H,4-5,8-14H2,(H,21,23)/t17-,18-,19-/m0/s1.
What are the key properties of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate?
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate has a molecular weight of 328.46 g/mol, XLogP of 3.53, 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-[(1S,2S)-2-phenylcyclohexyl]carbamate is sourced from PubChem (CID 59291234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).