(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Succinimidyl 4-(N-maleimidomethyl)cyclohexanecarboxylate
CID 125175
N-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate
CID 4170355
N-(6-Maleimidocaproyloxy)succinimide
CID 5091655
11-(Maleimido)undecanoic acid N-succinimidyl ester
CID 5091658
11-Maleimidoundecanoic Acid Sulfo-N-Succinimidyl Ester
CID 5066232
2,5-dioxopyrrolidin-1-yl 8-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)octanoate
CID 5091657
Pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 58185086
(2,5-Dioxopyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 9796541
(2,5-Dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexaneperoxoate
CID 9949147
(2,5-Dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate
CID 9976006
1-[11-(2,5-Dioxopyrrolidin-1-yl)-11-oxoundecyl]pyrrole-2,5-dione
CID 18976578
(2,5-Dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate
CID 19102527

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).