ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate

C30H42F3N3O7Si — CID 10722811

About ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate

ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate (PubChem CID 10722811) has the molecular formula C30H42F3N3O7Si and a molecular weight of 641.76 g/mol. Its IUPAC name is ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate
• PubChem CID: 10722811
• Molecular Formula: C30H42F3N3O7Si
• Molecular Weight: 641.76 g/mol
• Exact Mass: 641.27
• IUPAC Name: ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate
• SMILES: CCOC(=O)c1ccn(CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c(=O)c1NC(=O)OCc1ccccc1
• InChI: InChI=1S/C30H42F3N3O7Si/c1-9-41-27(39)21-15-16-36(26(38)24(21)35-28(40)42-18-20-13-11-10-12-14-20)17-22(37)34-23(19(2)3)25(30(31,32)33)43-44(7,8)29(4,5)6/h10-16,19,23,25H,9,17-18H2,1-8H3,(H,34,37)(H,35,40)
• InChIKey: GEAHGCDBZYUWON-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 124.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.76
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate?

The IUPAC name of ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate (CID 10722811) is ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate.

What is the SMILES notation for ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate?

The canonical SMILES for ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate is CCOC(=O)c1ccn(CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c(=O)c1NC(=O)OCc1ccccc1.

What is the InChIKey of ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate?

The InChIKey is GEAHGCDBZYUWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42F3N3O7Si/c1-9-41-27(39)21-15-16-36(26(38)24(21)35-28(40)42-18-20-13-11-10-12-14-20)17-22(37)34-23(19(2)3)25(30(31,32)33)43-44(7,8)29(4,5)6/h10-16,19,23,25H,9,17-18H2,1-8H3,(H,34,37)(H,35,40).

What are the key properties of ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate?

ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate has a molecular weight of 641.76 g/mol, XLogP of 5.87, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate is sourced from PubChem (CID 10722811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).