3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide

C27H46N2O8 — CID 142572280

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide (PubChem CID 142572280) has the molecular formula C27H46N2O8 and a molecular weight of 526.67 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide
• PubChem CID: 142572280
• Molecular Formula: C27H46N2O8
• Molecular Weight: 526.67 g/mol
• Exact Mass: 526.33
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide
• SMILES: CC(C)(CCC(=O)C(C)(C)C)OCC(C)(C)OCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C27H46N2O8/c1-25(2,3)21(30)10-12-26(4,5)37-20-27(6,7)36-19-18-35-17-16-34-15-13-28-22(31)11-14-29-23(32)8-9-24(29)33/h8-9H,10-20H2,1-7H3,(H,28,31)
• InChIKey: MTAORBDGFIWLSJ-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 120.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.67
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide (CID 142572280) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide.

What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide?

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide is CC(C)(CCC(=O)C(C)(C)C)OCC(C)(C)OCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.

What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide?

The InChIKey is MTAORBDGFIWLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N2O8/c1-25(2,3)21(30)10-12-26(4,5)37-20-27(6,7)36-19-18-35-17-16-34-15-13-28-22(31)11-14-29-23(32)8-9-24(29)33/h8-9H,10-20H2,1-7H3,(H,28,31).

What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide?

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide has a molecular weight of 526.67 g/mol, XLogP of 2.44, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 142572280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).