3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

C54H83N3O4 — CID 20768149

IUPAC3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCN1C(=O)C(CC(C)c2ccccc2)C(C(CC2C(=O)N(C3CC(C)(C)N(C)C(C)(C)C3)C(=O)C2C)c2ccccc2)C1=O
InChIInChI=1S/C54H83N3O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-35-56-50(59)47(36-40(2)42-31-26-24-27-32-42)48(52(56)61)46(43-33-28-25-29-34-43)37-45-41(3)49(58)57(51(45)60)44-38-53(4,5)55(8)54(6,7)39-44/h24-29,31-34,40-41,44-48H,9-23,30,35-39H2,1-8H3
InChIKeyAWLIUODZTNKSHE-UHFFFAOYSA-N
MW838.27 g/mol
LogP12.49
Rot. Bonds25

About 3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 20768149) has the molecular formula C54H83N3O4 and a molecular weight of 838.27 g/mol. Its IUPAC name is 3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID20768149
Molecular FormulaC54H83N3O4
Molecular Weight838.27 g/mol
Exact Mass837.64
IUPAC Name3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCCCN1C(=O)C(CC(C)c2ccccc2)C(C(CC2C(=O)N(C3CC(C)(C)N(C)C(C)(C)C3)C(=O)C2C)c2ccccc2)C1=O
InChIInChI=1S/C54H83N3O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-35-56-50(59)47(36-40(2)42-31-26-24-27-32-42)48(52(56)61)46(43-33-28-25-29-34-43)37-45-41(3)49(58)57(51(45)60)44-38-53(4,5)55(8)54(6,7)39-44/h24-29,31-34,40-41,44-48H,9-23,30,35-39H2,1-8H3
InChIKeyAWLIUODZTNKSHE-UHFFFAOYSA-N
XLogP12.49
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.27
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 20768149) is 3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is CCCCCCCCCCCCCCCCCCN1C(=O)C(CC(C)c2ccccc2)C(C(CC2C(=O)N(C3CC(C)(C)N(C)C(C)(C)C3)C(=O)C2C)c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is AWLIUODZTNKSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H83N3O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-35-56-50(59)47(36-40(2)42-31-26-24-27-32-42)48(52(56)61)46(43-33-28-25-29-34-43)37-45-41(3)49(58)57(51(45)60)44-38-53(4,5)55(8)54(6,7)39-44/h24-29,31-34,40-41,44-48H,9-23,30,35-39H2,1-8H3.
What are the key properties of 3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 838.27 g/mol, XLogP of 12.49, 25 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-[1-octadecyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 20768149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).