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

C22H26N2O2 — CID 69443126

IUPAC[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate
SMILESO=C(OCC1C[C@H]2CC[C@@H](C1)N2)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-22(26-16-18-13-19-11-12-20(14-18)23-19)24(21-9-5-2-6-10-21)15-17-7-3-1-4-8-17/h1-10,18-20,23H,11-16H2/t18?,19-,20+
InChIKeyNVWGJUUQGRZAQH-IHWFROFDSA-N
MW350.46 g/mol
LogP4.36
Rot. Bonds5

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

[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate (PubChem CID 69443126) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate.

Molecular Properties

Compound Name[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate
PubChem CID69443126
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate
SMILESO=C(OCC1C[C@H]2CC[C@@H](C1)N2)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-22(26-16-18-13-19-11-12-20(14-18)23-19)24(21-9-5-2-6-10-21)15-17-7-3-1-4-8-17/h1-10,18-20,23H,11-16H2/t18?,19-,20+
InChIKeyNVWGJUUQGRZAQH-IHWFROFDSA-N
XLogP4.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate?
The IUPAC name of [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate (CID 69443126) is [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate.
What is the SMILES notation for [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate?
The canonical SMILES for [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate is O=C(OCC1C[C@H]2CC[C@@H](C1)N2)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate?
The InChIKey is NVWGJUUQGRZAQH-IHWFROFDSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(26-16-18-13-19-11-12-20(14-18)23-19)24(21-9-5-2-6-10-21)15-17-7-3-1-4-8-17/h1-10,18-20,23H,11-16H2/t18?,19-,20+.
What are the key properties of [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate?
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate has a molecular weight of 350.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate is sourced from PubChem (CID 69443126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).