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

C20H36N2O2 — CID 11660072

IUPAC2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide
SMILESCCCCCCCCCC(C)(C)C(=O)NC12CCC(CC1)NC2=O
InChIInChI=1S/C20H36N2O2/c1-4-5-6-7-8-9-10-13-19(2,3)17(23)22-20-14-11-16(12-15-20)21-18(20)24/h16H,4-15H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyUWBRTQAGMFVBNK-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.08
Rot. Bonds10

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

2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide (PubChem CID 11660072) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide
PubChem CID11660072
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide
SMILESCCCCCCCCCC(C)(C)C(=O)NC12CCC(CC1)NC2=O
InChIInChI=1S/C20H36N2O2/c1-4-5-6-7-8-9-10-13-19(2,3)17(23)22-20-14-11-16(12-15-20)21-18(20)24/h16H,4-15H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyUWBRTQAGMFVBNK-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-methylidene-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)hexanamide
CID 88999369
N-hydroxy-2,2-dimethylheptadecanamide
CID 138558717
N,2,2-trimethyloctadecanamide
CID 158817445
N-ethyl-2,2-dimethylheptanamide
CID 168939290
2,2-dimethyl-N-oxidodecanamide
CID 141061443
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldocosanoic acid
CID 23471202
2,2-dimethyldecanamide
CID 22596903
3,4,4-trimethylpentadec-2-enoic acid
CID 54316493
N,2,2-trimethylhexanamide
CID 87705334
2,2-dimethyldodecanoyl chloride
CID 15656432
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide?
The IUPAC name of 2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide (CID 11660072) is 2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide is CCCCCCCCCC(C)(C)C(=O)NC12CCC(CC1)NC2=O.
What is the InChIKey of 2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide?
The InChIKey is UWBRTQAGMFVBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-4-5-6-7-8-9-10-13-19(2,3)17(23)22-20-14-11-16(12-15-20)21-18(20)24/h16H,4-15H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide?
2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide has a molecular weight of 336.52 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide is sourced from PubChem (CID 11660072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).