N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide

C30H58N2O6 — CID 89476282

About N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide

N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide (PubChem CID 89476282) has the molecular formula C30H58N2O6 and a molecular weight of 542.80 g/mol. Its IUPAC name is N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide
• PubChem CID: 89476282
• Molecular Formula: C30H58N2O6
• Molecular Weight: 542.80 g/mol
• Exact Mass: 542.43
• IUPAC Name: N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide
• SMILES: CCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)N1C[C@H](OC(C)C)C[C@H]1CO
• InChI: InChI=1S/C30H58N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(34)31-18-19-36-20-21-37-25-30(35)32-23-28(38-26(2)3)22-27(32)24-33/h26-28,33H,4-25H2,1-3H3,(H,31,34)/t27-,28+/m0/s1
• InChIKey: UZYIKVABHWCKTG-WUFINQPMSA-N
• XLogP: 5.00
• TPSA: 97.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 25
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.80
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide?

The IUPAC name of N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide (CID 89476282) is N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide.

What is the SMILES notation for N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide?

The canonical SMILES for N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCOCCOCC(=O)N1C[C@H](OC(C)C)C[C@H]1CO.

What is the InChIKey of N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide?

The InChIKey is UZYIKVABHWCKTG-WUFINQPMSA-N. The full InChI is InChI=1S/C30H58N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(34)31-18-19-36-20-21-37-25-30(35)32-23-28(38-26(2)3)22-27(32)24-33/h26-28,33H,4-25H2,1-3H3,(H,31,34)/t27-,28+/m0/s1.

What are the key properties of N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide?

N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide has a molecular weight of 542.80 g/mol, XLogP of 5.00, 25 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[(2S,4R)-2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-2-oxoethoxy]ethoxy]ethyl]hexadecanamide is sourced from PubChem (CID 89476282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).