N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide

C15H28N2O2 — CID 55104157

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2O2/c1-3-8-19-9-7-15(18)17(4-2)14-10-12-5-6-13(11-14)16-12/h12-14,16H,3-11H2,1-2H3
InChIKeyUVZBEOCCEIPYFP-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.93
Rot. Bonds7

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide (PubChem CID 55104157) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide
PubChem CID55104157
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2O2/c1-3-8-19-9-7-15(18)17(4-2)14-10-12-5-6-13(11-14)16-12/h12-14,16H,3-11H2,1-2H3
InChIKeyUVZBEOCCEIPYFP-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide (CID 55104157) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide is CCCOCCC(=O)N(CC)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide?
The InChIKey is UVZBEOCCEIPYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-8-19-9-7-15(18)17(4-2)14-10-12-5-6-13(11-14)16-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide has a molecular weight of 268.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-propoxypropanamide is sourced from PubChem (CID 55104157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).