N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide

C13H24N2O2 — CID 55091553

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide
SMILESCCOCCC(=O)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O2/c1-3-17-7-6-13(16)15(2)12-8-10-4-5-11(9-12)14-10/h10-12,14H,3-9H2,1-2H3
InChIKeyHSHPBDCPCPOTNO-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.15
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide (PubChem CID 55091553) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide
PubChem CID55091553
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide
SMILESCCOCCC(=O)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O2/c1-3-17-7-6-13(16)15(2)12-8-10-4-5-11(9-12)14-10/h10-12,14H,3-9H2,1-2H3
InChIKeyHSHPBDCPCPOTNO-UHFFFAOYSA-N
XLogP1.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.15
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)-3-ethoxy-N-methylpropanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide (CID 55091553) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide is CCOCCC(=O)N(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide?
The InChIKey is HSHPBDCPCPOTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-17-7-6-13(16)15(2)12-8-10-4-5-11(9-12)14-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-N-methylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 1.15, 5 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)-3-ethoxy-N-methylpropanamide is sourced from PubChem (CID 55091553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).