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

C18H31NO4 — CID 4229289

IUPAC(2,5-dioxopyrrolidin-1-yl) tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)23-19-16(20)14-15-17(19)21/h2-15H2,1H3
InChIKeyNZEDHZOVUDEBGW-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.29
Rot. Bonds13

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

(2,5-dioxopyrrolidin-1-yl) tetradecanoate (PubChem CID 4229289) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) tetradecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) tetradecanoate
PubChem CID4229289
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Name(2,5-dioxopyrrolidin-1-yl) tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)23-19-16(20)14-15-17(19)21/h2-15H2,1H3
InChIKeyNZEDHZOVUDEBGW-UHFFFAOYSA-N
XLogP4.29
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.29
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) tetradecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) tetradecanoate (CID 4229289) is (2,5-dioxopyrrolidin-1-yl) tetradecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) tetradecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) tetradecanoate is CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) tetradecanoate?
The InChIKey is NZEDHZOVUDEBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)23-19-16(20)14-15-17(19)21/h2-15H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) tetradecanoate?
(2,5-dioxopyrrolidin-1-yl) tetradecanoate has a molecular weight of 325.45 g/mol, XLogP of 4.29, 13 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) tetradecanoate is sourced from PubChem (CID 4229289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).