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

C41H69N3O8 — CID 159861218

IUPAC1-(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
SMILESC=CCC(CC=C)C(=O)COCCOCC(=O)N(CC=C)CC=C.CCC1CN(C(=O)COCCOCC(=O)N2CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C22H40N2O4.C19H29NO4/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;1-5-9-17(10-6-2)18(21)15-23-13-14-24-16-19(22)20(11-7-3)12-8-4/h17-20H,5-16H2,1-4H3;5-8,17H,1-4,9-16H2
InChIKeyNREBDWUAEDDMKU-UHFFFAOYSA-N
MW732.02 g/mol
LogP5.37
Rot. Bonds27

About 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

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 (PubChem CID 159861218) has the molecular formula C41H69N3O8 and a molecular weight of 732.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159861218
Molecular FormulaC41H69N3O8
Molecular Weight732.02 g/mol
Exact Mass731.51
IUPAC Name1-(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
SMILESC=CCC(CC=C)C(=O)COCCOCC(=O)N(CC=C)CC=C.CCC1CN(C(=O)COCCOCC(=O)N2CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C22H40N2O4.C19H29NO4/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;1-5-9-17(10-6-2)18(21)15-23-13-14-24-16-19(22)20(11-7-3)12-8-4/h17-20H,5-16H2,1-4H3;5-8,17H,1-4,9-16H2
InChIKeyNREBDWUAEDDMKU-UHFFFAOYSA-N
XLogP5.37
TPSA114.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.02
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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;2-[2-(2-oxo-3-prop-2-enylhex-5-enoxy)ethoxy]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCC(CC=C)C(=O)COCCOCC(=O)N(CC=C)CC=C.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;2-[2-(2-oxo-3-prop-2-enylhex-5-enoxy)ethoxy]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is NREBDWUAEDDMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O4.C19H29NO4/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;1-5-9-17(10-6-2)18(21)15-23-13-14-24-16-19(22)20(11-7-3)12-8-4/h17-20H,5-16H2,1-4H3;5-8,17H,1-4,9-16H2.
What are the key properties of 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?
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 has a molecular weight of 732.02 g/mol, XLogP of 5.37, 27 rotatable bonds, 0 hydrogen bond donors, and 8 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;2-[2-(2-oxo-3-prop-2-enylhex-5-enoxy)ethoxy]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 159861218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).