(2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate

C30H44N2O6 — CID 130220156

About (2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate

(2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate (PubChem CID 130220156) has the molecular formula C30H44N2O6 and a molecular weight of 528.69 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate
• PubChem CID: 130220156
• Molecular Formula: C30H44N2O6
• Molecular Weight: 528.69 g/mol
• Exact Mass: 528.32
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate
• SMILES: CC/C=C1/N(CCOC(C)(C)CCOC(C)(C)CCC(=O)ON2C(=O)CCC2=O)c2ccccc2C1(C)C
• InChI: InChI=1S/C30H44N2O6/c1-8-11-24-30(6,7)22-12-9-10-13-23(22)31(24)19-21-37-29(4,5)18-20-36-28(2,3)17-16-27(35)38-32-25(33)14-15-26(32)34/h9-13H,8,14-21H2,1-7H3/b24-11+
• InChIKey: ZWACGKIFGMJICS-BHGWPJFGSA-N
• XLogP: 5.45
• TPSA: 85.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.69
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate (CID 130220156) is (2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate is CC/C=C1/N(CCOC(C)(C)CCOC(C)(C)CCC(=O)ON2C(=O)CCC2=O)c2ccccc2C1(C)C.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate?

The InChIKey is ZWACGKIFGMJICS-BHGWPJFGSA-N. The full InChI is InChI=1S/C30H44N2O6/c1-8-11-24-30(6,7)22-12-9-10-13-23(22)31(24)19-21-37-29(4,5)18-20-36-28(2,3)17-16-27(35)38-32-25(33)14-15-26(32)34/h9-13H,8,14-21H2,1-7H3/b24-11+.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate?

(2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate has a molecular weight of 528.69 g/mol, XLogP of 5.45, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 4-[3-[2-[(2E)-3,3-dimethyl-2-propylideneindol-1-yl]ethoxy]-3-methylbutoxy]-4-methylpentanoate is sourced from PubChem (CID 130220156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).