2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide

C24H33N3O10 — CID 178004588

IUPAC2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1C(=O)c2cccc(OCC(=O)NCCOCCOCCOCCO)c2C1=O
InChIInChI=1S/C24H33N3O10/c1-25-22(31)18(5-3-8-28)27-23(32)17-4-2-6-19(21(17)24(27)33)37-16-20(30)26-7-10-34-12-14-36-15-13-35-11-9-29/h2,4,6,8,18,29H,3,5,7,9-16H2,1H3,(H,25,31)(H,26,30)
InChIKeySHWNVTMJCROJNQ-UHFFFAOYSA-N
MW523.54 g/mol
LogP-1.09
Rot. Bonds19

About 2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide

2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide (PubChem CID 178004588) has the molecular formula C24H33N3O10 and a molecular weight of 523.54 g/mol. Its IUPAC name is 2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
PubChem CID178004588
Molecular FormulaC24H33N3O10
Molecular Weight523.54 g/mol
Exact Mass523.22
IUPAC Name2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1C(=O)c2cccc(OCC(=O)NCCOCCOCCOCCO)c2C1=O
InChIInChI=1S/C24H33N3O10/c1-25-22(31)18(5-3-8-28)27-23(32)17-4-2-6-19(21(17)24(27)33)37-16-20(30)26-7-10-34-12-14-36-15-13-35-11-9-29/h2,4,6,8,18,29H,3,5,7,9-16H2,1H3,(H,25,31)(H,26,30)
InChIKeySHWNVTMJCROJNQ-UHFFFAOYSA-N
XLogP-1.09
TPSA169.80 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.54
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide?
The IUPAC name of 2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide (CID 178004588) is 2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide is CNC(=O)C(CCC=O)N1C(=O)c2cccc(OCC(=O)NCCOCCOCCOCCO)c2C1=O.
What is the InChIKey of 2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide?
The InChIKey is SHWNVTMJCROJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O10/c1-25-22(31)18(5-3-8-28)27-23(32)17-4-2-6-19(21(17)24(27)33)37-16-20(30)26-7-10-34-12-14-36-15-13-35-11-9-29/h2,4,6,8,18,29H,3,5,7,9-16H2,1H3,(H,25,31)(H,26,30).
What are the key properties of 2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide?
2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide has a molecular weight of 523.54 g/mol, XLogP of -1.09, 19 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 178004588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).