N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide

C35H72N2O12 — CID 135278922

About N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide

N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide (PubChem CID 135278922) has the molecular formula C35H72N2O12 and a molecular weight of 712.96 g/mol. Its IUPAC name is N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

• Compound Name: N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide
• PubChem CID: 135278922
• Molecular Formula: C35H72N2O12
• Molecular Weight: 712.96 g/mol
• Exact Mass: 712.51
• IUPAC Name: N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide
• SMILES: CC(C)OCC(COCCOCCOCCOCCNC(C)(C)C)OOC(COCCOCCOCCC(=O)NC(C)(C)C)COC(C)C
• InChI: InChI=1S/C35H72N2O12/c1-29(2)46-27-31(25-44-23-21-42-17-15-39-13-11-33(38)37-35(8,9)10)48-49-32(28-47-30(3)4)26-45-24-22-43-20-19-41-18-16-40-14-12-36-34(5,6)7/h29-32,36H,11-28H2,1-10H3,(H,37,38)
• InChIKey: YUFWIQUOTUDHAV-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 142.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 34
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.96
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide?

The IUPAC name of N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide (CID 135278922) is N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide.

What is the SMILES notation for N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide?

The canonical SMILES for N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide is CC(C)OCC(COCCOCCOCCOCCNC(C)(C)C)OOC(COCCOCCOCCC(=O)NC(C)(C)C)COC(C)C.

What is the InChIKey of N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide?

The InChIKey is YUFWIQUOTUDHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72N2O12/c1-29(2)46-27-31(25-44-23-21-42-17-15-39-13-11-33(38)37-35(8,9)10)48-49-32(28-47-30(3)4)26-45-24-22-43-20-19-41-18-16-40-14-12-36-34(5,6)7/h29-32,36H,11-28H2,1-10H3,(H,37,38).

What are the key properties of N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide?

N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide has a molecular weight of 712.96 g/mol, XLogP of 3.33, 34 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-[2-[2-[2-[1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-yl]peroxy-3-propan-2-yloxypropoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 135278922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).