N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide

C21H40N2O11 — CID 171593259

About N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide

N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide (PubChem CID 171593259) has the molecular formula C21H40N2O11 and a molecular weight of 496.55 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide
• PubChem CID: 171593259
• Molecular Formula: C21H40N2O11
• Molecular Weight: 496.55 g/mol
• Exact Mass: 496.26
• IUPAC Name: N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide
• SMILES: CCOCCC(=O)NCCOCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O
• InChI: InChI=1S/C21H40N2O11/c1-3-29-6-4-17(26)22-5-7-30-8-9-31-10-11-32-12-13-33-21-18(23-15(2)25)20(28)19(27)16(14-24)34-21/h16,18-21,24,27-28H,3-14H2,1-2H3,(H,22,26)(H,23,25)/t16-,18-,19+,20-,21-/m1/s1
• InChIKey: OYVCDFVQYIZFOS-QNDFHXLGSA-N
• XLogP: -2.46
• TPSA: 174.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.55
LogP ≤ 5	-2.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

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-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide?

The IUPAC name of N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide (CID 171593259) is N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide.

What is the SMILES notation for N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide?

The canonical SMILES for N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide is CCOCCC(=O)NCCOCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O.

What is the InChIKey of N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide?

The InChIKey is OYVCDFVQYIZFOS-QNDFHXLGSA-N. The full InChI is InChI=1S/C21H40N2O11/c1-3-29-6-4-17(26)22-5-7-30-8-9-31-10-11-32-12-13-33-21-18(23-15(2)25)20(28)19(27)16(14-24)34-21/h16,18-21,24,27-28H,3-14H2,1-2H3,(H,22,26)(H,23,25)/t16-,18-,19+,20-,21-/m1/s1.

What are the key properties of N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide?

N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide has a molecular weight of 496.55 g/mol, XLogP of -2.46, 19 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide is sourced from PubChem (CID 171593259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).