[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate

C21H24N2O2 — CID 177372531

IUPAC[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate
SMILESCN1[C@@H]2CC[C@H]1CC(OC(=O)N(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H24N2O2/c1-22-18-12-13-19(22)15-20(14-18)25-21(24)23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3/t18-,19+,20?
InChIKeyIJRUGZIZSARHLR-YOFSQIOKSA-N
MW336.44 g/mol
LogP4.59
Rot. Bonds3

About [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate (PubChem CID 177372531) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate.

Molecular Properties

Compound Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate
PubChem CID177372531
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate
SMILESCN1[C@@H]2CC[C@H]1CC(OC(=O)N(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H24N2O2/c1-22-18-12-13-19(22)15-20(14-18)25-21(24)23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3/t18-,19+,20?
InChIKeyIJRUGZIZSARHLR-YOFSQIOKSA-N
XLogP4.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate?
The IUPAC name of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate (CID 177372531) is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate.
What is the SMILES notation for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate?
The canonical SMILES for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate is CN1[C@@H]2CC[C@H]1CC(OC(=O)N(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate?
The InChIKey is IJRUGZIZSARHLR-YOFSQIOKSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-22-18-12-13-19(22)15-20(14-18)25-21(24)23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3/t18-,19+,20?.
What are the key properties of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate has a molecular weight of 336.44 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N,N-diphenylcarbamate is sourced from PubChem (CID 177372531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).