3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid

C43H82N2O4 — CID 24845441

IUPAC3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid
SMILESCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C25H46N2O2.C18H36O2/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h20-21,26H,6-19H2,1-5H3;2-17H2,1H3,(H,19,20)
InChIKeyMAUUJNWEXJQICB-UHFFFAOYSA-N
MW691.14 g/mol
LogP12.31
Rot. Bonds28

About 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid

3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid (PubChem CID 24845441) has the molecular formula C43H82N2O4 and a molecular weight of 691.14 g/mol. Its IUPAC name is 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid.

Molecular Properties

Compound Name3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid
PubChem CID24845441
Molecular FormulaC43H82N2O4
Molecular Weight691.14 g/mol
Exact Mass690.63
IUPAC Name3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid
SMILESCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C25H46N2O2.C18H36O2/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h20-21,26H,6-19H2,1-5H3;2-17H2,1H3,(H,19,20)
InChIKeyMAUUJNWEXJQICB-UHFFFAOYSA-N
XLogP12.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.14
LogP ≤ 512.31
H-Bond Donors ≤ 52
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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Related Compounds

3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;propane-1,3-diamine
CID 23086802
3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;1,2,2,3-tetramethylpiperidine
CID 174334288
(3S)-3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 98053180
3-dodecyl-1-(1-ethenyl-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 150658011
3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one
CID 139892665
1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid
CID 68586351
hexadecanoic acid;2,2,6,6-tetramethylpiperidine
CID 175009118
10-(2-butylcyclopropyl)decanoic acid
CID 71374776
3-butyl-1-hydroxypyrrolidine-2,5-dione
CID 59622423
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol
CID 174733730
2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde
CID 174471334

Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid?
The IUPAC name of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid (CID 24845441) is 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid.
What is the SMILES notation for 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid?
The canonical SMILES for 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid is CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O.CCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid?
The InChIKey is MAUUJNWEXJQICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O2.C18H36O2/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h20-21,26H,6-19H2,1-5H3;2-17H2,1H3,(H,19,20).
What are the key properties of 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid?
3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid has a molecular weight of 691.14 g/mol, XLogP of 12.31, 28 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione;octadecanoic acid is sourced from PubChem (CID 24845441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).