Tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate

C₂₄H₄₈N₄O₆ — CID 54445356

About Tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate

Tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate (PubChem CID 54445356) has the molecular formula C₂₄H₄₈N₄O₆ and a molecular weight of 488.67 g/mol. Its IUPAC name is tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate.

Molecular Properties

• Compound Name: Tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate
• PubChem CID: 54445356
• Molecular Formula: C₂₄H₄₈N₄O₆
• Molecular Weight: 488.67 g/mol
• Exact Mass: 488.36
• IUPAC Name: tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate
• SMILES: CCCCC(COC(N)=O)N(CCCCCNC(=O)OC(C)(C)C)C(CCCC)COC(N)=O
• InChI: InChI=1S/C24H48N4O6/c1-6-8-13-19(17-32-21(25)29)28(20(14-9-7-2)18-33-22(26)30)16-12-10-11-15-27-23(31)34-24(3,4)5/h19-20H,6-18H2,1-5H3,(H2,25,29)(H2,26,30)(H,27,31)
• InChIKey: WRCJFVWCSOERGQ-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 146.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.67
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate?

The IUPAC name of Tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate (CID 54445356) is tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate.

What is the SMILES notation for Tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate?

The canonical SMILES for Tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate is CCCCC(COC(N)=O)N(CCCCCNC(=O)OC(C)(C)C)C(CCCC)COC(N)=O.

What is the InChIKey of Tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate?

The InChIKey is WRCJFVWCSOERGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N4O6/c1-6-8-13-19(17-32-21(25)29)28(20(14-9-7-2)18-33-22(26)30)16-12-10-11-15-27-23(31)34-24(3,4)5/h19-20H,6-18H2,1-5H3,(H2,25,29)(H2,26,30)(H,27,31).

What are the key properties of Tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate?

Tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate has a molecular weight of 488.67 g/mol, XLogP of 4.29, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate is sourced from PubChem (CID 54445356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54445356 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.