2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide

C16H26N2O2 — CID 88999369

IUPAC2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide
SMILESC=C(CCC)C(C)(C)C(=O)NC12CCC(CC1)NC2=O
InChIInChI=1S/C16H26N2O2/c1-5-6-11(2)15(3,4)13(19)18-16-9-7-12(8-10-16)17-14(16)20/h12H,2,5-10H2,1,3-4H3,(H,17,20)(H,18,19)
InChIKeyVADQNYKTLCDZNF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.30
Rot. Bonds5

About 2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide

2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide (PubChem CID 88999369) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide
PubChem CID88999369
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide
SMILESC=C(CCC)C(C)(C)C(=O)NC12CCC(CC1)NC2=O
InChIInChI=1S/C16H26N2O2/c1-5-6-11(2)15(3,4)13(19)18-16-9-7-12(8-10-16)17-14(16)20/h12H,2,5-10H2,1,3-4H3,(H,17,20)(H,18,19)
InChIKeyVADQNYKTLCDZNF-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide?
The IUPAC name of 2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide (CID 88999369) is 2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide.
What is the SMILES notation for 2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide?
The canonical SMILES for 2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide is C=C(CCC)C(C)(C)C(=O)NC12CCC(CC1)NC2=O.
What is the InChIKey of 2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide?
The InChIKey is VADQNYKTLCDZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-6-11(2)15(3,4)13(19)18-16-9-7-12(8-10-16)17-14(16)20/h12H,2,5-10H2,1,3-4H3,(H,17,20)(H,18,19).
What are the key properties of 2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide?
2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide has a molecular weight of 278.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide is sourced from PubChem (CID 88999369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).