(2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate

C24H42N2O5 — CID 15705259

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(27)25-20-24(30)31-26-22(28)18-19-23(26)29/h2-20H2,1H3,(H,25,27)
InChIKeyGKSDBNJJPJKAHT-UHFFFAOYSA-N
MW438.61 g/mol
LogP4.97
Rot. Bonds19

About (2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate

(2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate (PubChem CID 15705259) has the molecular formula C24H42N2O5 and a molecular weight of 438.61 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate
PubChem CID15705259
Molecular FormulaC24H42N2O5
Molecular Weight438.61 g/mol
Exact Mass438.31
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(27)25-20-24(30)31-26-22(28)18-19-23(26)29/h2-20H2,1H3,(H,25,27)
InChIKeyGKSDBNJJPJKAHT-UHFFFAOYSA-N
XLogP4.97
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 54.97
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate (CID 15705259) is (2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate is CCCCCCCCCCCCCCCCCC(=O)NCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate?
The InChIKey is GKSDBNJJPJKAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(27)25-20-24(30)31-26-22(28)18-19-23(26)29/h2-20H2,1H3,(H,25,27).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate has a molecular weight of 438.61 g/mol, XLogP of 4.97, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(octadecanoylamino)acetate is sourced from PubChem (CID 15705259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).