N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide

C32H51N3O6 — CID 163962150

About N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide

N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide (PubChem CID 163962150) has the molecular formula C32H51N3O6 and a molecular weight of 573.78 g/mol. Its IUPAC name is N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide.

Molecular Properties

• Compound Name: N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide
• PubChem CID: 163962150
• Molecular Formula: C32H51N3O6
• Molecular Weight: 573.78 g/mol
• Exact Mass: 573.38
• IUPAC Name: N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide
• SMILES: CC(C)(C)C(=O)CCC(=O)N(CCN1C(=O)C=C(C(C)(C)C)C1=O)CCN1C(=O)C(C(C)(C)C)C(C(C)(C)C)C1=O
• InChI: InChI=1S/C32H51N3O6/c1-29(2,3)20-19-23(38)34(26(20)39)17-15-33(22(37)14-13-21(36)30(4,5)6)16-18-35-27(40)24(31(7,8)9)25(28(35)41)32(10,11)12/h19,24-25H,13-18H2,1-12H3
• InChIKey: HUVSWZUVXRCZNN-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 112.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.78
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide?

The IUPAC name of N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide (CID 163962150) is N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide.

What is the SMILES notation for N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide?

The canonical SMILES for N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide is CC(C)(C)C(=O)CCC(=O)N(CCN1C(=O)C=C(C(C)(C)C)C1=O)CCN1C(=O)C(C(C)(C)C)C(C(C)(C)C)C1=O.

What is the InChIKey of N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide?

The InChIKey is HUVSWZUVXRCZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51N3O6/c1-29(2,3)20-19-23(38)34(26(20)39)17-15-33(22(37)14-13-21(36)30(4,5)6)16-18-35-27(40)24(31(7,8)9)25(28(35)41)32(10,11)12/h19,24-25H,13-18H2,1-12H3.

What are the key properties of N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide?

N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide has a molecular weight of 573.78 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-tert-butyl-2,5-dioxopyrrol-1-yl)ethyl]-N-[2-(3,4-ditert-butyl-2,5-dioxopyrrolidin-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide is sourced from PubChem (CID 163962150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).