1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione

C33H44N2O3 — CID 59307223

IUPAC1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(CCN2CCOC2(c2ccccc2)c2ccccc2)C1=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C33H44N2O3/c1-25(23-32(5,6)24-31(2,3)4)21-26-22-29(36)35(30(26)37)18-17-34-19-20-38-33(34,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-16,26H,1,17-24H2,2-6H3
InChIKeyUZUQUWNXIYYFMO-UHFFFAOYSA-N
MW516.73 g/mol
LogP6.39
Rot. Bonds10

About 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione

1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (PubChem CID 59307223) has the molecular formula C33H44N2O3 and a molecular weight of 516.73 g/mol. Its IUPAC name is 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
PubChem CID59307223
Molecular FormulaC33H44N2O3
Molecular Weight516.73 g/mol
Exact Mass516.34
IUPAC Name1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(CCN2CCOC2(c2ccccc2)c2ccccc2)C1=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C33H44N2O3/c1-25(23-32(5,6)24-31(2,3)4)21-26-22-29(36)35(30(26)37)18-17-34-19-20-38-33(34,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-16,26H,1,17-24H2,2-6H3
InChIKeyUZUQUWNXIYYFMO-UHFFFAOYSA-N
XLogP6.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.73
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (CID 59307223) is 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is C=C(CC1CC(=O)N(CCN2CCOC2(c2ccccc2)c2ccccc2)C1=O)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The InChIKey is UZUQUWNXIYYFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N2O3/c1-25(23-32(5,6)24-31(2,3)4)21-26-22-29(36)35(30(26)37)18-17-34-19-20-38-33(34,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-16,26H,1,17-24H2,2-6H3.
What are the key properties of 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione has a molecular weight of 516.73 g/mol, XLogP of 6.39, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-diphenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59307223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).