dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium

C25H50N3O2+ — CID 121391981

IUPACdimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C25H49N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-28(2,3)23-24(29)26-19-17-21-27-20-16-18-25(27)30/h4-23H2,1-3H3/p+1
InChIKeyZDOOKFUQEYQIEW-UHFFFAOYSA-O
MW424.69 g/mol
LogP4.89
Rot. Bonds19

About dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium

dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium (PubChem CID 121391981) has the molecular formula C25H50N3O2+ and a molecular weight of 424.69 g/mol. Its IUPAC name is dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium.

Molecular Properties

Compound Namedimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium
PubChem CID121391981
Molecular FormulaC25H50N3O2+
Molecular Weight424.69 g/mol
Exact Mass424.39
IUPAC Namedimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C25H49N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-28(2,3)23-24(29)26-19-17-21-27-20-16-18-25(27)30/h4-23H2,1-3H3/p+1
InChIKeyZDOOKFUQEYQIEW-UHFFFAOYSA-O
XLogP4.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.69
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
[2-[6-[[2-[dimethyl(octyl)azaniumyl]acetyl]amino]hexylamino]-2-oxoethyl]-dimethyl-octylazanium
CID 122212878
12-[dimethyl-[2-(octylamino)-2-oxoethyl]azaniumyl]dodecyl-dimethyl-[2-(octylamino)-2-oxoethyl]azanium
CID 134154384
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
methyl-[(2-oxopyrrolidin-1-yl)methyl]-bis[3-(undecanoylamino)propyl]azanium chloride
CID 67875855
bis[3-(hexadecanoylamino)propyl]-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
CID 67875788
dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
CID 14093945
2-(diethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977577
ethyl-methyl-[3-(octadecanoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium bromide
CID 70357841
trioctadecyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium
CID 67875856

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium?
The IUPAC name of dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium (CID 121391981) is dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium.
What is the SMILES notation for dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium?
The canonical SMILES for dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium is CCCCCCCCCCCCCC[N+](C)(C)CC(=O)NCCCN1CCCC1=O.
What is the InChIKey of dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium?
The InChIKey is ZDOOKFUQEYQIEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H49N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-28(2,3)23-24(29)26-19-17-21-27-20-16-18-25(27)30/h4-23H2,1-3H3/p+1.
What are the key properties of dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium?
dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium has a molecular weight of 424.69 g/mol, XLogP of 4.89, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium is sourced from PubChem (CID 121391981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).