[(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate

C39H79NO5 — CID 167077141

About [(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate

[(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate (PubChem CID 167077141) has the molecular formula C39H79NO5 and a molecular weight of 642.06 g/mol. Its IUPAC name is [(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate.

Molecular Properties

• Compound Name: [(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate
• PubChem CID: 167077141
• Molecular Formula: C39H79NO5
• Molecular Weight: 642.06 g/mol
• Exact Mass: 641.60
• IUPAC Name: [(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate
• SMILES: CCCCCCCCCCCCCCOC[C@H](COC(=O)NCCC(C)(C)OCC)OCCCCCCCCCCCCCC
• InChI: InChI=1S/C39H79NO5/c1-6-9-11-13-15-17-19-21-23-25-27-29-33-42-35-37(36-44-38(41)40-32-31-39(4,5)45-8-3)43-34-30-28-26-24-22-20-18-16-14-12-10-7-2/h37H,6-36H2,1-5H3,(H,40,41)/t37-/m1/s1
• InChIKey: FUZURHQKXSRNJV-DIPNUNPCSA-N
• XLogP: 11.72
• TPSA: 66.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 36
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.06
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate?

The IUPAC name of [(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate (CID 167077141) is [(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate.

What is the SMILES notation for [(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate?

The canonical SMILES for [(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate is CCCCCCCCCCCCCCOC[C@H](COC(=O)NCCC(C)(C)OCC)OCCCCCCCCCCCCCC.

What is the InChIKey of [(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate?

The InChIKey is FUZURHQKXSRNJV-DIPNUNPCSA-N. The full InChI is InChI=1S/C39H79NO5/c1-6-9-11-13-15-17-19-21-23-25-27-29-33-42-35-37(36-44-38(41)40-32-31-39(4,5)45-8-3)43-34-30-28-26-24-22-20-18-16-14-12-10-7-2/h37H,6-36H2,1-5H3,(H,40,41)/t37-/m1/s1.

What are the key properties of [(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate?

[(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate has a molecular weight of 642.06 g/mol, XLogP of 11.72, 36 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2,3-di(tetradecoxy)propyl] N-(3-ethoxy-3-methylbutyl)carbamate is sourced from PubChem (CID 167077141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).