1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone

C22H40N2O4 — CID 20583703

IUPAC1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone
SMILESCCC1CN(C(=O)COCCOCC(=O)N2CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C22H40N2O4/c1-5-17-11-23(12-18(17)6-2)21(25)15-27-9-10-28-16-22(26)24-13-19(7-3)20(8-4)14-24/h17-20H,5-16H2,1-4H3
InChIKeyAZZDWXHJEZTZHN-UHFFFAOYSA-N
MW396.57 g/mol
LogP2.81
Rot. Bonds11

About 1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone

1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone (PubChem CID 20583703) has the molecular formula C22H40N2O4 and a molecular weight of 396.57 g/mol. Its IUPAC name is 1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone.

Molecular Properties

Compound Name1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone
PubChem CID20583703
Molecular FormulaC22H40N2O4
Molecular Weight396.57 g/mol
Exact Mass396.30
IUPAC Name1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone
SMILESCCC1CN(C(=O)COCCOCC(=O)N2CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C22H40N2O4/c1-5-17-11-23(12-18(17)6-2)21(25)15-27-9-10-28-16-22(26)24-13-19(7-3)20(8-4)14-24/h17-20H,5-16H2,1-4H3
InChIKeyAZZDWXHJEZTZHN-UHFFFAOYSA-N
XLogP2.81
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 107938026
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1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone;2-[2-(2-oxo-3-prop-2-enylhex-5-enoxy)ethoxy]-N,N-bis(prop-2-enyl)acetamide
CID 159861218
1-(3-ethylpyrrolidin-1-yl)-2-propoxyethanone
CID 103747275
2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509876
1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone
CID 103709580
1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone
CID 126837154
1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-propoxyethanone
CID 113412124
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone
CID 2163030
2-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 103531253
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-butoxyethanone
CID 120748544
2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577158

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone?
The IUPAC name of 1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone (CID 20583703) is 1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone.
What is the SMILES notation for 1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone?
The canonical SMILES for 1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone is CCC1CN(C(=O)COCCOCC(=O)N2CC(CC)C(CC)C2)CC1CC.
What is the InChIKey of 1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone?
The InChIKey is AZZDWXHJEZTZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O4/c1-5-17-11-23(12-18(17)6-2)21(25)15-27-9-10-28-16-22(26)24-13-19(7-3)20(8-4)14-24/h17-20H,5-16H2,1-4H3.
What are the key properties of 1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone?
1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone has a molecular weight of 396.57 g/mol, XLogP of 2.81, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone is sourced from PubChem (CID 20583703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).