[(2R)-2,3-di(tetradecoxy)propyl] N-(2-propan-2-yloxyethyl)carbamate

C37H75NO5 — CID 134312281

About [(2R)-2,3-di(tetradecoxy)propyl] N-(2-propan-2-yloxyethyl)carbamate

[(2R)-2,3-di(tetradecoxy)propyl] N-(2-propan-2-yloxyethyl)carbamate (PubChem CID 134312281) has the molecular formula C37H75NO5 and a molecular weight of 614.01 g/mol. Its IUPAC name is [(2R)-2,3-di(tetradecoxy)propyl] N-(2-propan-2-yloxyethyl)carbamate.

Molecular Properties

• Compound Name: [(2R)-2,3-di(tetradecoxy)propyl] N-(2-propan-2-yloxyethyl)carbamate
• PubChem CID: 134312281
• Molecular Formula: C37H75NO5
• Molecular Weight: 614.01 g/mol
• Exact Mass: 613.56
• IUPAC Name: [(2R)-2,3-di(tetradecoxy)propyl] N-(2-propan-2-yloxyethyl)carbamate
• SMILES: CCCCCCCCCCCCCCOC[C@H](COC(=O)NCCOC(C)C)OCCCCCCCCCCCCCC
• InChI: InChI=1S/C37H75NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-30-40-33-36(34-43-37(39)38-29-32-41-35(3)4)42-31-28-26-24-22-20-18-16-14-12-10-8-6-2/h35-36H,5-34H2,1-4H3,(H,38,39)/t36-/m1/s1
• InChIKey: LENJEIZZCRGTHI-PSXMRANNSA-N
• XLogP: 10.94
• TPSA: 66.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 35
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.01
LogP ≤ 5	10.94
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-(2-propan-2-yloxyethyl)carbamate?

The IUPAC name of [(2R)-2,3-di(tetradecoxy)propyl] N-(2-propan-2-yloxyethyl)carbamate (CID 134312281) is [(2R)-2,3-di(tetradecoxy)propyl] N-(2-propan-2-yloxyethyl)carbamate.

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

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

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

The InChIKey is LENJEIZZCRGTHI-PSXMRANNSA-N. The full InChI is InChI=1S/C37H75NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-30-40-33-36(34-43-37(39)38-29-32-41-35(3)4)42-31-28-26-24-22-20-18-16-14-12-10-8-6-2/h35-36H,5-34H2,1-4H3,(H,38,39)/t36-/m1/s1.

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

[(2R)-2,3-di(tetradecoxy)propyl] N-(2-propan-2-yloxyethyl)carbamate has a molecular weight of 614.01 g/mol, XLogP of 10.94, 35 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-(2-propan-2-yloxyethyl)carbamate is sourced from PubChem (CID 134312281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).