N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide

C26H31N3O2 — CID 67041803

IUPACN-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NC12CNC(=O)C(C(c3ccccc3)C1)C(c1ccccc1)C2
InChIInChI=1S/C26H31N3O2/c30-23(17-29-13-7-8-14-29)28-26-15-21(19-9-3-1-4-10-19)24(25(31)27-18-26)22(16-26)20-11-5-2-6-12-20/h1-6,9-12,21-22,24H,7-8,13-18H2,(H,27,31)(H,28,30)
InChIKeyVJTDFSCILWSQMT-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.04
Rot. Bonds5

About N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide

N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide (PubChem CID 67041803) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide
PubChem CID67041803
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NC12CNC(=O)C(C(c3ccccc3)C1)C(c1ccccc1)C2
InChIInChI=1S/C26H31N3O2/c30-23(17-29-13-7-8-14-29)28-26-15-21(19-9-3-1-4-10-19)24(25(31)27-18-26)22(16-26)20-11-5-2-6-12-20/h1-6,9-12,21-22,24H,7-8,13-18H2,(H,27,31)(H,28,30)
InChIKeyVJTDFSCILWSQMT-UHFFFAOYSA-N
XLogP3.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide with MolForge

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Related Compounds

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CID 67037746
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N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride
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1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidine-4-carboxylic acid
CID 119907979
1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 91842994
(3S,4R)-4-phenyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 166299597
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide
CID 11618255
2-(azocan-1-yl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25435064
1-(3-amino-4-phenylpyrrolidin-1-yl)-2-(azocan-1-yl)ethanone
CID 156604119
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide (CID 67041803) is N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)NC12CNC(=O)C(C(c3ccccc3)C1)C(c1ccccc1)C2.
What is the InChIKey of N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is VJTDFSCILWSQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c30-23(17-29-13-7-8-14-29)28-26-15-21(19-9-3-1-4-10-19)24(25(31)27-18-26)22(16-26)20-11-5-2-6-12-20/h1-6,9-12,21-22,24H,7-8,13-18H2,(H,27,31)(H,28,30).
What are the key properties of N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide?
N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 417.55 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 67041803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).