3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione

C35H66N2O2 — CID 58058435

IUPAC3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCC(C)C(C)CC1C(=O)N(C2CC(C)(C)NC(C)(C)C2)C(=O)C1C
InChIInChI=1S/C35H66N2O2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(2)28(3)24-31-29(4)32(38)37(33(31)39)30-25-34(5,6)36-35(7,8)26-30/h27-31,36H,9-26H2,1-8H3
InChIKeyUTFFUNMFWHZALP-UHFFFAOYSA-N
MW546.93 g/mol
LogP9.45
Rot. Bonds19

About 3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione

3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 58058435) has the molecular formula C35H66N2O2 and a molecular weight of 546.93 g/mol. Its IUPAC name is 3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID58058435
Molecular FormulaC35H66N2O2
Molecular Weight546.93 g/mol
Exact Mass546.51
IUPAC Name3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCC(C)C(C)CC1C(=O)N(C2CC(C)(C)NC(C)(C)C2)C(=O)C1C
InChIInChI=1S/C35H66N2O2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(2)28(3)24-31-29(4)32(38)37(33(31)39)30-25-34(5,6)36-35(7,8)26-30/h27-31,36H,9-26H2,1-8H3
InChIKeyUTFFUNMFWHZALP-UHFFFAOYSA-N
XLogP9.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.93
LogP ≤ 59.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,5-Pyrrolidinedione, 3-dodecyl-1-(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 174179
2,5-Pyrrolidinedione, 1-(1-acetyl-2,2,6,6-tetramethyl-4-piperidinyl)-3-dodecyl-
CID 3034263
2,5-Pyrrolidinedione, 3-dodecyl-1-(1,2,2,6,6-pentamethyl-4-piperidinyl)-
CID 86098
Octadecanoic acid, compd. with 3-dodecyl-1-(2,2,6,6-tetramethyl-4-piperidinyl)-2,5-pyrrolidinedione (1:1)
CID 24845441
Hexahydro-N-(2,2,6,6-tetramethyl-4-piperidyl)phthalimide
CID 3018856
Hexahydro-4-methyl-N-(2,2,6,6-tetramethyl-4-piperidyl)phthalimide
CID 3018858
3-Decyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 68575313
3-Tetradecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 170842601
3-{1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)carbonyl]-4-piperidinyl}-N-cyclopropylpropanamide
CID 45216957
N-(3-methylpentan-3-yl)-8-propyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 72109843
(2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide
CID 10125776
(2S,3R)-5-methyl-3-(2-methylpiperidine-1-carbonyl)-2-propylhexanamide
CID 10193074

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 58058435) is 3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is CCCCCCCCCCCCCCCCC(C)C(C)CC1C(=O)N(C2CC(C)(C)NC(C)(C)C2)C(=O)C1C.
What is the InChIKey of 3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is UTFFUNMFWHZALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H66N2O2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(2)28(3)24-31-29(4)32(38)37(33(31)39)30-25-34(5,6)36-35(7,8)26-30/h27-31,36H,9-26H2,1-8H3.
What are the key properties of 3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 546.93 g/mol, XLogP of 9.45, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylnonadecyl)-4-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58058435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).