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

C35H66N2O2 — CID 58004422

IUPAC3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCC(C)CC1C(=O)N(C2CC(C)(C)NC(C)(C)C2)C(=O)C1C
InChIInChI=1S/C35H66N2O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(2)25-31-29(3)32(38)37(33(31)39)30-26-34(4,5)36-35(6,7)27-30/h28-31,36H,8-27H2,1-7H3
InChIKeyZWECBESJECSSCC-UHFFFAOYSA-N
MW546.93 g/mol
LogP9.59
Rot. Bonds20

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

3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 58004422) has the molecular formula C35H66N2O2 and a molecular weight of 546.93 g/mol. Its IUPAC name is 3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID58004422
Molecular FormulaC35H66N2O2
Molecular Weight546.93 g/mol
Exact Mass546.51
IUPAC Name3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCC(C)CC1C(=O)N(C2CC(C)(C)NC(C)(C)C2)C(=O)C1C
InChIInChI=1S/C35H66N2O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(2)25-31-29(3)32(38)37(33(31)39)30-26-34(4,5)36-35(6,7)27-30/h28-31,36H,8-27H2,1-7H3
InChIKeyZWECBESJECSSCC-UHFFFAOYSA-N
XLogP9.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.93
LogP ≤ 59.59
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 58004422) is 3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is CCCCCCCCCCCCCCCCCCC(C)CC1C(=O)N(C2CC(C)(C)NC(C)(C)C2)C(=O)C1C.
What is the InChIKey of 3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is ZWECBESJECSSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H66N2O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(2)25-31-29(3)32(38)37(33(31)39)30-26-34(4,5)36-35(6,7)27-30/h28-31,36H,8-27H2,1-7H3.
What are the key properties of 3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione?
3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 546.93 g/mol, XLogP of 9.59, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylicosyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58004422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).