3-Tetradecan-2-ylpyrrolidine-2,5-dione

C18H33NO2 — CID 20233407

IUPAC3-tetradecan-2-ylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC(C)C1CC(=O)NC1=O
InChIInChI=1S/C18H33NO2/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)16-14-17(20)19-18(16)21/h15-16H,3-14H2,1-2H3,(H,19,20,21)
InChIKeyJIYWVURPKJRMAB-UHFFFAOYSA-N
MW295.50 g/mol
LogP6.30
Rot. Bonds12

About 3-Tetradecan-2-ylpyrrolidine-2,5-dione

3-Tetradecan-2-ylpyrrolidine-2,5-dione (PubChem CID 20233407) has the molecular formula C18H33NO2 and a molecular weight of 295.50 g/mol. Its IUPAC name is 3-tetradecan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-Tetradecan-2-ylpyrrolidine-2,5-dione
PubChem CID20233407
Molecular FormulaC18H33NO2
Molecular Weight295.50 g/mol
Exact Mass295.25
IUPAC Name3-tetradecan-2-ylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC(C)C1CC(=O)NC1=O
InChIInChI=1S/C18H33NO2/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)16-14-17(20)19-18(16)21/h15-16H,3-14H2,1-2H3,(H,19,20,21)
InChIKeyJIYWVURPKJRMAB-UHFFFAOYSA-N
XLogP6.30
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity314

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.50
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-Cyclohexyl-2-methyl-3,4-dihydro-2H-pyrrol-5-ol
CID 201514
2-Cyclohexyl-2-ethyl-3,4-dihydro-2H-pyrrol-5-ol
CID 201515
2-Pyrrolidinone, 5-cyclohexyl-5-propyl-
CID 201516
8-Methyl-2-azaspiro(4.5)decane-1,3-dione
CID 43155384
3-Dodecylpyrrolidine-2,5-dione
CID 13880212
4-Decylpyrrolidine-2,3,5-trione
CID 11987631
3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione
CID 139266077
Decylsuccinimide
CID 12539697
3-Cyclohexylsuccinimide
CID 12931268
3-Butylpyrrolidine-2,5-dione
CID 14694508
Lauroyl succinimide
CID 69865962
Diathyl-Succinimid
CID 71323379

Frequently Asked Questions

What is the IUPAC name of 3-Tetradecan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-Tetradecan-2-ylpyrrolidine-2,5-dione (CID 20233407) is 3-tetradecan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-Tetradecan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-Tetradecan-2-ylpyrrolidine-2,5-dione is CCCCCCCCCCCCC(C)C1CC(=O)NC1=O.
What is the InChIKey of 3-Tetradecan-2-ylpyrrolidine-2,5-dione?
The InChIKey is JIYWVURPKJRMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)16-14-17(20)19-18(16)21/h15-16H,3-14H2,1-2H3,(H,19,20,21).
What are the key properties of 3-Tetradecan-2-ylpyrrolidine-2,5-dione?
3-Tetradecan-2-ylpyrrolidine-2,5-dione has a molecular weight of 295.50 g/mol, XLogP of 6.30, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Tetradecan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 20233407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).