N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide

C23H38N2O4Si — CID 174085323

About N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide

N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide (PubChem CID 174085323) has the molecular formula C23H38N2O4Si and a molecular weight of 434.65 g/mol. Its IUPAC name is N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide
• PubChem CID: 174085323
• Molecular Formula: C23H38N2O4Si
• Molecular Weight: 434.65 g/mol
• Exact Mass: 434.26
• IUPAC Name: N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide
• SMILES: CC(=O)N[C@H](CN1CCCC1)C(O[Si](C)(C)C(C)(C)C)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C23H38N2O4Si/c1-17(26)24-19(16-25-11-7-8-12-25)22(29-30(5,6)23(2,3)4)18-9-10-20-21(15-18)28-14-13-27-20/h9-10,15,19,22H,7-8,11-14,16H2,1-6H3,(H,24,26)/t19-,22?/m1/s1
• InChIKey: QHFKTHCISSMZDQ-LCQOSCCDSA-N
• XLogP: 4.12
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.65
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide?

The IUPAC name of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide (CID 174085323) is N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide.

What is the SMILES notation for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide?

The canonical SMILES for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide is CC(=O)N[C@H](CN1CCCC1)C(O[Si](C)(C)C(C)(C)C)c1ccc2c(c1)OCCO2.

What is the InChIKey of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide?

The InChIKey is QHFKTHCISSMZDQ-LCQOSCCDSA-N. The full InChI is InChI=1S/C23H38N2O4Si/c1-17(26)24-19(16-25-11-7-8-12-25)22(29-30(5,6)23(2,3)4)18-9-10-20-21(15-18)28-14-13-27-20/h9-10,15,19,22H,7-8,11-14,16H2,1-6H3,(H,24,26)/t19-,22?/m1/s1.

What are the key properties of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide?

N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide has a molecular weight of 434.65 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 174085323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).