(2,5-dioxopyrrolidin-1-yl) hexadecanoate

C20H35NO4 — CID 4620598

IUPAC(2,5-dioxopyrrolidin-1-yl) hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)25-21-18(22)16-17-19(21)23/h2-17H2,1H3
InChIKeyOTNHQVHEZCBZQU-UHFFFAOYSA-N
MW353.50 g/mol
LogP5.07
Rot. Bonds15

About (2,5-dioxopyrrolidin-1-yl) hexadecanoate

(2,5-dioxopyrrolidin-1-yl) hexadecanoate (PubChem CID 4620598) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) hexadecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) hexadecanoate
PubChem CID4620598
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Name(2,5-dioxopyrrolidin-1-yl) hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)25-21-18(22)16-17-19(21)23/h2-17H2,1H3
InChIKeyOTNHQVHEZCBZQU-UHFFFAOYSA-N
XLogP5.07
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.50
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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) hexadecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) hexadecanoate (CID 4620598) is (2,5-dioxopyrrolidin-1-yl) hexadecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) hexadecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) hexadecanoate is CCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) hexadecanoate?
The InChIKey is OTNHQVHEZCBZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)25-21-18(22)16-17-19(21)23/h2-17H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) hexadecanoate?
(2,5-dioxopyrrolidin-1-yl) hexadecanoate has a molecular weight of 353.50 g/mol, XLogP of 5.07, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) hexadecanoate is sourced from PubChem (CID 4620598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).