N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide

C17H29N3O3 — CID 91948741

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide
SMILESO=C(COCC(=O)N1CCCCCC1)NC1CN2CCC1CC2
InChIInChI=1S/C17H29N3O3/c21-16(18-15-11-19-9-5-14(15)6-10-19)12-23-13-17(22)20-7-3-1-2-4-8-20/h14-15H,1-13H2,(H,18,21)
InChIKeyCAPJKELZHLXKDI-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.62
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide (PubChem CID 91948741) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide
PubChem CID91948741
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide
SMILESO=C(COCC(=O)N1CCCCCC1)NC1CN2CCC1CC2
InChIInChI=1S/C17H29N3O3/c21-16(18-15-11-19-9-5-14(15)6-10-19)12-23-13-17(22)20-7-3-1-2-4-8-20/h14-15H,1-13H2,(H,18,21)
InChIKeyCAPJKELZHLXKDI-UHFFFAOYSA-N
XLogP0.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240963
2-(piperidin-4-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 39062936
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 4286317
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 55209645
2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 4591298
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide
CID 54928054
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
CID 59129901
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide
CID 54639482
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
(2S)-2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpentanamide
CID 61173160

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide (CID 91948741) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide is O=C(COCC(=O)N1CCCCCC1)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide?
The InChIKey is CAPJKELZHLXKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c21-16(18-15-11-19-9-5-14(15)6-10-19)12-23-13-17(22)20-7-3-1-2-4-8-20/h14-15H,1-13H2,(H,18,21).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide has a molecular weight of 323.44 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide is sourced from PubChem (CID 91948741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).