tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C32H49FN2O7 — CID 155680675

About tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 155680675) has the molecular formula C32H49FN2O7 and a molecular weight of 592.75 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 155680675
• Molecular Formula: C32H49FN2O7
• Molecular Weight: 592.75 g/mol
• Exact Mass: 592.35
• IUPAC Name: tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• SMILES: CC(OCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)C(F)CNC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C32H49FN2O7/c1-26(29(33)25-35-30(27-11-7-5-8-12-27)28-13-9-6-10-14-28)41-24-23-40-22-21-39-20-19-38-18-17-37-16-15-34-31(36)42-32(2,3)4/h5-14,26,29-30,35H,15-25H2,1-4H3,(H,34,36)
• InChIKey: SLCYTIFPUKDYHO-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 96.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.75
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 155680675) is tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(OCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)C(F)CNC(c1ccccc1)c1ccccc1.

What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is SLCYTIFPUKDYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49FN2O7/c1-26(29(33)25-35-30(27-11-7-5-8-12-27)28-13-9-6-10-14-28)41-24-23-40-22-21-39-20-19-38-18-17-37-16-15-34-31(36)42-32(2,3)4/h5-14,26,29-30,35H,15-25H2,1-4H3,(H,34,36).

What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 592.75 g/mol, XLogP of 4.70, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 155680675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).