tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate

C36H38N2O8 — CID 58325703

About tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate

tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate (PubChem CID 58325703) has the molecular formula C36H38N2O8 and a molecular weight of 626.71 g/mol. Its IUPAC name is tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate
• PubChem CID: 58325703
• Molecular Formula: C36H38N2O8
• Molecular Weight: 626.71 g/mol
• Exact Mass: 626.26
• IUPAC Name: tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate
• SMILES: CC(CC1C(=O)N(c2ccc(OCC(=O)OC(C)(C)C)cc2)C(=O)C1C1C(=O)N(c2ccc(O)cc2)C(=O)C1C)c1ccccc1
• InChI: InChI=1S/C36H38N2O8/c1-21(23-9-7-6-8-10-23)19-28-31(30-22(2)32(41)37(34(30)43)24-11-15-26(39)16-12-24)35(44)38(33(28)42)25-13-17-27(18-14-25)45-20-29(40)46-36(3,4)5/h6-18,21-22,28,30-31,39H,19-20H2,1-5H3
• InChIKey: JVTRVUHJWZIPKK-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 130.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.71
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate?

The IUPAC name of tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate (CID 58325703) is tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate.

What is the SMILES notation for tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate?

The canonical SMILES for tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate is CC(CC1C(=O)N(c2ccc(OCC(=O)OC(C)(C)C)cc2)C(=O)C1C1C(=O)N(c2ccc(O)cc2)C(=O)C1C)c1ccccc1.

What is the InChIKey of tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate?

The InChIKey is JVTRVUHJWZIPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2O8/c1-21(23-9-7-6-8-10-23)19-28-31(30-22(2)32(41)37(34(30)43)24-11-15-26(39)16-12-24)35(44)38(33(28)42)25-13-17-27(18-14-25)45-20-29(40)46-36(3,4)5/h6-18,21-22,28,30-31,39H,19-20H2,1-5H3.

What are the key properties of tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate?

tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate has a molecular weight of 626.71 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[4-[3-[1-(4-hydroxyphenyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]phenoxy]acetate is sourced from PubChem (CID 58325703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).