FHHURRRGQUGIRU-UHFFFAOYSA-N

C₂₇H₅₄N₂O₄ — CID 19884226

About FHHURRRGQUGIRU-UHFFFAOYSA-N

FHHURRRGQUGIRU-UHFFFAOYSA-N (PubChem CID 19884226) has the molecular formula C₂₇H₅₄N₂O₄ and a molecular weight of 470.74 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-octadecylcarbamate.

Molecular Properties

• Compound Name: FHHURRRGQUGIRU-UHFFFAOYSA-N
• PubChem CID: 19884226
• Molecular Formula: C₂₇H₅₄N₂O₄
• Molecular Weight: 470.74 g/mol
• Exact Mass: 470.41
• IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-octadecylcarbamate
• SMILES: CCCCCCCCCCCCCCCCCCNC(=O)OCC(C)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C27H54N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-25(30)32-23-24(2)29-26(31)33-27(3,4)5/h24H,6-23H2,1-5H3,(H,28,30)(H,29,31)
• InChIKey: FHHURRRGQUGIRU-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.74
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of FHHURRRGQUGIRU-UHFFFAOYSA-N?

The IUPAC name of FHHURRRGQUGIRU-UHFFFAOYSA-N (CID 19884226) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-octadecylcarbamate.

What is the SMILES notation for FHHURRRGQUGIRU-UHFFFAOYSA-N?

The canonical SMILES for FHHURRRGQUGIRU-UHFFFAOYSA-N is CCCCCCCCCCCCCCCCCCNC(=O)OCC(C)NC(=O)OC(C)(C)C.

What is the InChIKey of FHHURRRGQUGIRU-UHFFFAOYSA-N?

The InChIKey is FHHURRRGQUGIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-25(30)32-23-24(2)29-26(31)33-27(3,4)5/h24H,6-23H2,1-5H3,(H,28,30)(H,29,31).

What are the key properties of FHHURRRGQUGIRU-UHFFFAOYSA-N?

FHHURRRGQUGIRU-UHFFFAOYSA-N has a molecular weight of 470.74 g/mol, XLogP of 7.89, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for FHHURRRGQUGIRU-UHFFFAOYSA-N is sourced from PubChem (CID 19884226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 19884226 — identifiers, structure, computed properties (public domain)

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