1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate

C23H37N3O6 — CID 167424771

IUPAC1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate
SMILESCCC(OC(=O)NCC1(COC)C(=O)C2CCN1CC2)C1(COC)C(=O)C2CCN1CC2
InChIInChI=1S/C23H37N3O6/c1-4-18(23(15-31-3)20(28)17-7-11-26(23)12-8-17)32-21(29)24-13-22(14-30-2)19(27)16-5-9-25(22)10-6-16/h16-18H,4-15H2,1-3H3,(H,24,29)
InChIKeyAWGKZVNSZBTWAY-UHFFFAOYSA-N
MW451.56 g/mol
LogP0.85
Rot. Bonds9

About 1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate

1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate (PubChem CID 167424771) has the molecular formula C23H37N3O6 and a molecular weight of 451.56 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate
PubChem CID167424771
Molecular FormulaC23H37N3O6
Molecular Weight451.56 g/mol
Exact Mass451.27
IUPAC Name1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate
SMILESCCC(OC(=O)NCC1(COC)C(=O)C2CCN1CC2)C1(COC)C(=O)C2CCN1CC2
InChIInChI=1S/C23H37N3O6/c1-4-18(23(15-31-3)20(28)17-7-11-26(23)12-8-17)32-21(29)24-13-22(14-30-2)19(27)16-5-9-25(22)10-6-16/h16-18H,4-15H2,1-3H3,(H,24,29)
InChIKeyAWGKZVNSZBTWAY-UHFFFAOYSA-N
XLogP0.85
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate?
The IUPAC name of 1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate (CID 167424771) is 1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate.
What is the SMILES notation for 1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate?
The canonical SMILES for 1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate is CCC(OC(=O)NCC1(COC)C(=O)C2CCN1CC2)C1(COC)C(=O)C2CCN1CC2.
What is the InChIKey of 1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate?
The InChIKey is AWGKZVNSZBTWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O6/c1-4-18(23(15-31-3)20(28)17-7-11-26(23)12-8-17)32-21(29)24-13-22(14-30-2)19(27)16-5-9-25(22)10-6-16/h16-18H,4-15H2,1-3H3,(H,24,29).
What are the key properties of 1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate?
1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate has a molecular weight of 451.56 g/mol, XLogP of 0.85, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]propyl N-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate is sourced from PubChem (CID 167424771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).