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

C31H42N2O3 — CID 59307216

IUPAC1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(CCN2CCOC2c2cccc3ccccc23)C1=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C31H42N2O3/c1-22(20-31(5,6)21-30(2,3)4)18-24-19-27(34)33(28(24)35)15-14-32-16-17-36-29(32)26-13-9-11-23-10-7-8-12-25(23)26/h7-13,24,29H,1,14-21H2,2-6H3
InChIKeyZQLAXGGYXULCCL-UHFFFAOYSA-N
MW490.69 g/mol
LogP6.34
Rot. Bonds9

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

1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (PubChem CID 59307216) has the molecular formula C31H42N2O3 and a molecular weight of 490.69 g/mol. Its IUPAC name is 1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
PubChem CID59307216
Molecular FormulaC31H42N2O3
Molecular Weight490.69 g/mol
Exact Mass490.32
IUPAC Name1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(CCN2CCOC2c2cccc3ccccc23)C1=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C31H42N2O3/c1-22(20-31(5,6)21-30(2,3)4)18-24-19-27(34)33(28(24)35)15-14-32-16-17-36-29(32)26-13-9-11-23-10-7-8-12-25(23)26/h7-13,24,29H,1,14-21H2,2-6H3
InChIKeyZQLAXGGYXULCCL-UHFFFAOYSA-N
XLogP6.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 56.34
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-naphthalen-1-yl-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-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (CID 59307216) is 1-[2-(2-naphthalen-1-yl-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-naphthalen-1-yl-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-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is C=C(CC1CC(=O)N(CCN2CCOC2c2cccc3ccccc23)C1=O)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The InChIKey is ZQLAXGGYXULCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2O3/c1-22(20-31(5,6)21-30(2,3)4)18-24-19-27(34)33(28(24)35)15-14-32-16-17-36-29(32)26-13-9-11-23-10-7-8-12-25(23)26/h7-13,24,29H,1,14-21H2,2-6H3.
What are the key properties of 1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione has a molecular weight of 490.69 g/mol, XLogP of 6.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59307216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).