(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate

C22H28N2O10 — CID 154776108

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate
SMILESO=Cc1ccc(C(=O)NCCOCCOCCOCCOCC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H28N2O10/c25-15-17-1-3-18(4-2-17)22(29)23-7-8-30-9-10-31-11-12-32-13-14-33-16-21(28)34-24-19(26)5-6-20(24)27/h1-4,15H,5-14,16H2,(H,23,29)
InChIKeyFHPSJOUDRRXEJK-UHFFFAOYSA-N
MW480.47 g/mol
LogP-0.10
Rot. Bonds17

About (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate (PubChem CID 154776108) has the molecular formula C22H28N2O10 and a molecular weight of 480.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate
PubChem CID154776108
Molecular FormulaC22H28N2O10
Molecular Weight480.47 g/mol
Exact Mass480.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate
SMILESO=Cc1ccc(C(=O)NCCOCCOCCOCCOCC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H28N2O10/c25-15-17-1-3-18(4-2-17)22(29)23-7-8-30-9-10-31-11-12-32-13-14-33-16-21(28)34-24-19(26)5-6-20(24)27/h1-4,15H,5-14,16H2,(H,23,29)
InChIKeyFHPSJOUDRRXEJK-UHFFFAOYSA-N
XLogP-0.10
TPSA146.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
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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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 57369360
(2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane
CID 143085911
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 154803611
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 59616514
4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 175868079
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 154803621
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 157314738
bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate
CID 153431412
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 89202897
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide
CID 89427030
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078534

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate (CID 154776108) is (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate is O=Cc1ccc(C(=O)NCCOCCOCCOCCOCC(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The InChIKey is FHPSJOUDRRXEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O10/c25-15-17-1-3-18(4-2-17)22(29)23-7-8-30-9-10-31-11-12-32-13-14-33-16-21(28)34-24-19(26)5-6-20(24)27/h1-4,15H,5-14,16H2,(H,23,29).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 480.47 g/mol, XLogP of -0.10, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 154776108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).