(2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate

C21H29NO5 — CID 175002043

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate
SMILESCCc1cc(CC)c(OCCCCC(=O)ON2C(=O)CCC2=O)c(CC)c1
InChIInChI=1S/C21H29NO5/c1-4-15-13-16(5-2)21(17(6-3)14-15)26-12-8-7-9-20(25)27-22-18(23)10-11-19(22)24/h13-14H,4-12H2,1-3H3
InChIKeyNEGPWCFPNGDAQW-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.53
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate

(2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate (PubChem CID 175002043) has the molecular formula C21H29NO5 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate
PubChem CID175002043
Molecular FormulaC21H29NO5
Molecular Weight375.47 g/mol
Exact Mass375.20
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate
SMILESCCc1cc(CC)c(OCCCCC(=O)ON2C(=O)CCC2=O)c(CC)c1
InChIInChI=1S/C21H29NO5/c1-4-15-13-16(5-2)21(17(6-3)14-15)26-12-8-7-9-20(25)27-22-18(23)10-11-19(22)24/h13-14H,4-12H2,1-3H3
InChIKeyNEGPWCFPNGDAQW-UHFFFAOYSA-N
XLogP3.53
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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) 7-methoxyheptanoate
CID 90394451
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 6-(4-chloro-3,5-dimethylphenoxy)hexanoate
CID 10270350
(2,5-dioxopyrrolidin-1-yl) 6-(2,4,5-trichlorophenoxy)hexanoate
CID 23078138
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione
CID 174768072
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate (CID 175002043) is (2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate is CCc1cc(CC)c(OCCCCC(=O)ON2C(=O)CCC2=O)c(CC)c1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate?
The InChIKey is NEGPWCFPNGDAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO5/c1-4-15-13-16(5-2)21(17(6-3)14-15)26-12-8-7-9-20(25)27-22-18(23)10-11-19(22)24/h13-14H,4-12H2,1-3H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate?
(2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate has a molecular weight of 375.47 g/mol, XLogP of 3.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate is sourced from PubChem (CID 175002043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).