N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide

C₁₇H₃₀N₂O₃ — CID 176612838

About N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide

N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide (PubChem CID 176612838) has the molecular formula C₁₇H₃₀N₂O₃ and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
• PubChem CID: 176612838
• Molecular Formula: C₁₇H₃₀N₂O₃
• Molecular Weight: 310.44 g/mol
• Exact Mass: 310.23
• IUPAC Name: N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
• SMILES: C=C[C@]1(NC(C)=O)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O
• InChI: InChI=1S/C17H30N2O3/c1-8-17(19-13(7)21)15(18-12(6)20)14(9-10(2)3)22-16(17)11(4)5/h8,10-11,14-16H,1,9H2,2-7H3,(H,18,20)(H,19,21)/t14-,15+,16+,17-/m1/s1
• InChIKey: OMSRNOFNYNUPMG-LTIDMASMSA-N
• XLogP: 2.02
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.44
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?

The IUPAC name of N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide (CID 176612838) is N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide.

What is the SMILES notation for N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?

The canonical SMILES for N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide is C=C[C@]1(NC(C)=O)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O.

What is the InChIKey of N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?

The InChIKey is OMSRNOFNYNUPMG-LTIDMASMSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-8-17(19-13(7)21)15(18-12(6)20)14(9-10(2)3)22-16(17)11(4)5/h8,10-11,14-16H,1,9H2,2-7H3,(H,18,20)(H,19,21)/t14-,15+,16+,17-/m1/s1.

What are the key properties of N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?

N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide has a molecular weight of 310.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5S)-4-acetamido-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide is sourced from PubChem (CID 176612838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 176612838 — identifiers, structure, computed properties (public domain)

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