N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide

C18H27N3O5 — CID 59129901

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
SMILESO=C(CCOCCOCCN1C(=O)C=CC1=O)NC1CN2CCC1CC2
InChIInChI=1S/C18H27N3O5/c22-16(19-15-13-20-6-3-14(15)4-7-20)5-9-25-11-12-26-10-8-21-17(23)1-2-18(21)24/h1-2,14-15H,3-13H2,(H,19,22)
InChIKeyXLTAXMMWIPDTDN-UHFFFAOYSA-N
MW365.43 g/mol
LogP-0.45
Rot. Bonds10

About N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide (PubChem CID 59129901) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
PubChem CID59129901
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
SMILESO=C(CCOCCOCCN1C(=O)C=CC1=O)NC1CN2CCC1CC2
InChIInChI=1S/C18H27N3O5/c22-16(19-15-13-20-6-3-14(15)4-7-20)5-9-25-11-12-26-10-8-21-17(23)1-2-18(21)24/h1-2,14-15H,3-13H2,(H,19,22)
InChIKeyXLTAXMMWIPDTDN-UHFFFAOYSA-N
XLogP-0.45
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide
CID 71127231
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-ethylpropanamide
CID 144940675
1-[2-[2-[2-[2-[3-oxo-3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 134403550
3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-pentylpropanamide
CID 121327567
N-cyclopropyl-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 112731299
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
CID 160561289
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334013
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334014
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate
CID 77078335
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078334
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide
CID 60687389

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide (CID 59129901) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide is O=C(CCOCCOCCN1C(=O)C=CC1=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide?
The InChIKey is XLTAXMMWIPDTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c22-16(19-15-13-20-6-3-14(15)4-7-20)5-9-25-11-12-26-10-8-21-17(23)1-2-18(21)24/h1-2,14-15H,3-13H2,(H,19,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide has a molecular weight of 365.43 g/mol, XLogP of -0.45, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide is sourced from PubChem (CID 59129901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).