2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium

C16H23N2O4+ — CID 118588562

IUPAC2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CCO)CCOCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H23N2O4/c1-18(2,8-10-19)9-12-22-11-7-17-15(20)13-5-3-4-6-14(13)16(17)21/h3-6,19H,7-12H2,1-2H3/q+1
InChIKeyWJPAKFUIOOYVTC-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.37
Rot. Bonds8

About 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium

2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 118588562) has the molecular formula C16H23N2O4+ and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Name2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID118588562
Molecular FormulaC16H23N2O4+
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CCO)CCOCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H23N2O4/c1-18(2,8-10-19)9-12-22-11-7-17-15(20)13-5-3-4-6-14(13)16(17)21/h3-6,19H,7-12H2,1-2H3/q+1
InChIKeyWJPAKFUIOOYVTC-UHFFFAOYSA-N
XLogP0.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 156773068
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethyl acetate
CID 16720658
3-(1,3-dioxoisoindol-2-yl)propyl-[4-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]butyl]-dimethylazanium
CID 10770828
2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 13028612
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite
CID 143275850
3-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]propanoic acid
CID 14462388
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione
CID 51354396
2-hydroxyethyl-[2-[18-[2-[2-hydroxyethyl(dimethyl)azaniumyl]ethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethyl]-dimethylazanium
CID 102342691
tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate
CID 134839808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium (CID 118588562) is 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium is C[N+](C)(CCO)CCOCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is WJPAKFUIOOYVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N2O4/c1-18(2,8-10-19)9-12-22-11-7-17-15(20)13-5-3-4-6-14(13)16(17)21/h3-6,19H,7-12H2,1-2H3/q+1.
What are the key properties of 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium?
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 307.37 g/mol, XLogP of 0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 118588562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).