(2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate

C20H28N2O6 — CID 13421309

IUPAC(2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate
SMILESO=C(CCCCCCCCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H28N2O6/c23-16-11-12-17(24)21(16)15-9-7-5-3-1-2-4-6-8-10-20(27)28-22-18(25)13-14-19(22)26/h11-12H,1-10,13-15H2
InChIKeyFTHGTMHBQKTEEF-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.42
Rot. Bonds13

About (2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate

(2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate (PubChem CID 13421309) has the molecular formula C20H28N2O6 and a molecular weight of 392.45 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate
PubChem CID13421309
Molecular FormulaC20H28N2O6
Molecular Weight392.45 g/mol
Exact Mass392.19
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate
SMILESO=C(CCCCCCCCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H28N2O6/c23-16-11-12-17(24)21(16)15-9-7-5-3-1-2-4-6-8-10-20(27)28-22-18(25)13-14-19(22)26/h11-12H,1-10,13-15H2
InChIKeyFTHGTMHBQKTEEF-UHFFFAOYSA-N
XLogP2.42
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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) 12-(2,5-dioxopyrrol-1-yl)dodecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate (CID 13421309) is (2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate is O=C(CCCCCCCCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate?
The InChIKey is FTHGTMHBQKTEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6/c23-16-11-12-17(24)21(16)15-9-7-5-3-1-2-4-6-8-10-20(27)28-22-18(25)13-14-19(22)26/h11-12H,1-10,13-15H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate?
(2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate has a molecular weight of 392.45 g/mol, XLogP of 2.42, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate is sourced from PubChem (CID 13421309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).