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

C27H40N2O3 — CID 59307224

IUPAC1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(CCN2CCOC2c2ccccc2)C1=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C27H40N2O3/c1-20(18-27(5,6)19-26(2,3)4)16-22-17-23(30)29(24(22)31)13-12-28-14-15-32-25(28)21-10-8-7-9-11-21/h7-11,22,25H,1,12-19H2,2-6H3
InChIKeyKUYKQGKVZBYTLH-UHFFFAOYSA-N
MW440.63 g/mol
LogP5.19
Rot. Bonds9

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

1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (PubChem CID 59307224) has the molecular formula C27H40N2O3 and a molecular weight of 440.63 g/mol. Its IUPAC name is 1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
PubChem CID59307224
Molecular FormulaC27H40N2O3
Molecular Weight440.63 g/mol
Exact Mass440.30
IUPAC Name1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(CCN2CCOC2c2ccccc2)C1=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C27H40N2O3/c1-20(18-27(5,6)19-26(2,3)4)16-22-17-23(30)29(24(22)31)13-12-28-14-15-32-25(28)21-10-8-7-9-11-21/h7-11,22,25H,1,12-19H2,2-6H3
InChIKeyKUYKQGKVZBYTLH-UHFFFAOYSA-N
XLogP5.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 55.19
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'}

Analyze 1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenyl-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-phenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (CID 59307224) is 1-[2-(2-phenyl-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-phenyl-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-phenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is C=C(CC1CC(=O)N(CCN2CCOC2c2ccccc2)C1=O)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The InChIKey is KUYKQGKVZBYTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O3/c1-20(18-27(5,6)19-26(2,3)4)16-22-17-23(30)29(24(22)31)13-12-28-14-15-32-25(28)21-10-8-7-9-11-21/h7-11,22,25H,1,12-19H2,2-6H3.
What are the key properties of 1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione has a molecular weight of 440.63 g/mol, XLogP of 5.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59307224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).