N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide

C23H28N2O — CID 3081002

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H28N2O/c1-2-23(26)25(19-11-7-4-8-12-19)22-15-20-13-14-21(16-22)24(20)17-18-9-5-3-6-10-18/h3-12,20-22H,2,13-17H2,1H3
InChIKeyOKGVKWYKMWZDEL-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.63
Rot. Bonds5

About N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide (PubChem CID 3081002) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide
PubChem CID3081002
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H28N2O/c1-2-23(26)25(19-11-7-4-8-12-19)22-15-20-13-14-21(16-22)24(20)17-18-9-5-3-6-10-18/h3-12,20-22H,2,13-17H2,1H3
InChIKeyOKGVKWYKMWZDEL-UHFFFAOYSA-N
XLogP4.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[9-(3-bicyclo[3.3.1]nonanylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-N-phenylpropanamide
CID 123922608
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylhydroxylamine
CID 143720504
N-[8-(2-cyclohepta-1,3,6-trien-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide
CID 142147338
N-[[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 10895457
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-(2-methylpiperidin-4-yl)-N-phenylpropanamide
CID 155269375
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[1-[(2S)-1-phenylpropan-2-yl]piperidin-4-yl]propanamide
CID 36689715
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 90349890
tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
CID 91278962
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412

Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide (CID 3081002) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide?
The InChIKey is OKGVKWYKMWZDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-2-23(26)25(19-11-7-4-8-12-19)22-15-20-13-14-21(16-22)24(20)17-18-9-5-3-6-10-18/h3-12,20-22H,2,13-17H2,1H3.
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide has a molecular weight of 348.49 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide is sourced from PubChem (CID 3081002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).