tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate

C32H39F3N2O4Si — CID 177205489

About tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate

tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate (PubChem CID 177205489) has the molecular formula C32H39F3N2O4Si and a molecular weight of 600.75 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate
• PubChem CID: 177205489
• Molecular Formula: C32H39F3N2O4Si
• Molecular Weight: 600.75 g/mol
• Exact Mass: 600.26
• IUPAC Name: tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@H]1c2ccc(C(F)(F)F)nc2O[C@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C32H39F3N2O4Si/c1-30(2,3)41-29(38)37-27-24-19-20-26(32(33,34)35)36-28(24)40-25(27)18-13-21-39-42(31(4,5)6,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17,19-20,25,27H,13,18,21H2,1-6H3,(H,37,38)/t25-,27-/m0/s1
• InChIKey: LWPYPUXNVCBYFT-BDYUSTAISA-N
• XLogP: 6.78
• TPSA: 69.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.75
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate (CID 177205489) is tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1c2ccc(C(F)(F)F)nc2O[C@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate?

The InChIKey is LWPYPUXNVCBYFT-BDYUSTAISA-N. The full InChI is InChI=1S/C32H39F3N2O4Si/c1-30(2,3)41-29(38)37-27-24-19-20-26(32(33,34)35)36-28(24)40-25(27)18-13-21-39-42(31(4,5)6,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17,19-20,25,27H,13,18,21H2,1-6H3,(H,37,38)/t25-,27-/m0/s1.

What are the key properties of tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate?

tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate has a molecular weight of 600.75 g/mol, XLogP of 6.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate is sourced from PubChem (CID 177205489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).