N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide

C17H28N2O — CID 11943039

IUPACN-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide
SMILESC=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C1CCCCC1
InChIInChI=1S/C17H28N2O/c1-2-13-12-19-9-8-15(13)10-16(19)11-18-17(20)14-6-4-3-5-7-14/h2,13-16H,1,3-12H2,(H,18,20)/t13-,15-,16+/m0/s1
InChIKeyYUZZACSOTBIUGP-CWRNSKLLSA-N
MW276.42 g/mol
LogP2.58
Rot. Bonds4

About N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide

N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 11943039) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide
PubChem CID11943039
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide
SMILESC=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C1CCCCC1
InChIInChI=1S/C17H28N2O/c1-2-13-12-19-9-8-15(13)10-16(19)11-18-17(20)14-6-4-3-5-7-14/h2,13-16H,1,3-12H2,(H,18,20)/t13-,15-,16+/m0/s1
InChIKeyYUZZACSOTBIUGP-CWRNSKLLSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide (CID 11943039) is N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide is C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C1CCCCC1.
What is the InChIKey of N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is YUZZACSOTBIUGP-CWRNSKLLSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-13-12-19-9-8-15(13)10-16(19)11-18-17(20)14-6-4-3-5-7-14/h2,13-16H,1,3-12H2,(H,18,20)/t13-,15-,16+/m0/s1.
What are the key properties of N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide?
N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 11943039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).