8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate

C23H28N2O2 — CID 91077823

IUPAC8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate
SMILESCc1cccc(N(Cc2ccccc2)C(=O)OCC2CC3CCC(C2)N3)c1
InChIInChI=1S/C23H28N2O2/c1-17-6-5-9-22(12-17)25(15-18-7-3-2-4-8-18)23(26)27-16-19-13-20-10-11-21(14-19)24-20/h2-9,12,19-21,24H,10-11,13-16H2,1H3
InChIKeyYRYRPRHRFVQPPS-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.67
Rot. Bonds5

About 8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate

8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate (PubChem CID 91077823) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate
PubChem CID91077823
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate
SMILESCc1cccc(N(Cc2ccccc2)C(=O)OCC2CC3CCC(C2)N3)c1
InChIInChI=1S/C23H28N2O2/c1-17-6-5-9-22(12-17)25(15-18-7-3-2-4-8-18)23(26)27-16-19-13-20-10-11-21(14-19)24-20/h2-9,12,19-21,24H,10-11,13-16H2,1H3
InChIKeyYRYRPRHRFVQPPS-UHFFFAOYSA-N
XLogP4.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate
CID 69443126
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(3-methylphenyl)acetamide
CID 79615458
2-cyclopentyl-N-[(3-methylphenyl)methyl]-N-phenylacetamide
CID 91043678
(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
CID 90875734
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
CID 143695884
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide
CID 79607499
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide
CID 119753320
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] N-[(5-methylthiophen-2-yl)methyl]-N-phenylcarbamate
CID 11646122
[(3R)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)carbamate bromide
CID 157226460
8-azabicyclo[3.2.1]octan-3-ylmethyl N-(3-fluoro-2-phenylphenyl)carbamate
CID 11394093
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 79611025
(1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane
CID 99645713

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate (CID 91077823) is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate is Cc1cccc(N(Cc2ccccc2)C(=O)OCC2CC3CCC(C2)N3)c1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate?
The InChIKey is YRYRPRHRFVQPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-6-5-9-22(12-17)25(15-18-7-3-2-4-8-18)23(26)27-16-19-13-20-10-11-21(14-19)24-20/h2-9,12,19-21,24H,10-11,13-16H2,1H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate?
8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate has a molecular weight of 364.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-benzyl-N-(3-methylphenyl)carbamate is sourced from PubChem (CID 91077823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).