benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate

C34H44F3N3O5Si — CID 22405589

IUPACbenzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)C(NC(=O)Cn1cc(Cc2ccccc2)cc(NC(=O)OCc2ccccc2)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C34H44F3N3O5Si/c1-23(2)29(30(34(35,36)37)45-46(6,7)33(3,4)5)39-28(41)21-40-20-26(18-24-14-10-8-11-15-24)19-27(31(40)42)38-32(43)44-22-25-16-12-9-13-17-25/h8-17,19-20,23,29-30H,18,21-22H2,1-7H3,(H,38,43)(H,39,41)
InChIKeyCFSGADXBRCXTCU-UHFFFAOYSA-N
MW659.82 g/mol
LogP7.28
Rot. Bonds12

About benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate

benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 22405589) has the molecular formula C34H44F3N3O5Si and a molecular weight of 659.82 g/mol. Its IUPAC name is benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID22405589
Molecular FormulaC34H44F3N3O5Si
Molecular Weight659.82 g/mol
Exact Mass659.30
IUPAC Namebenzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)C(NC(=O)Cn1cc(Cc2ccccc2)cc(NC(=O)OCc2ccccc2)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C34H44F3N3O5Si/c1-23(2)29(30(34(35,36)37)45-46(6,7)33(3,4)5)39-28(41)21-40-20-26(18-24-14-10-8-11-15-24)19-27(31(40)42)38-32(43)44-22-25-16-12-9-13-17-25/h8-17,19-20,23,29-30H,18,21-22H2,1-7H3,(H,38,43)(H,39,41)
InChIKeyCFSGADXBRCXTCU-UHFFFAOYSA-N
XLogP7.28
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.82
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate (CID 22405589) is benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate is CC(C)C(NC(=O)Cn1cc(Cc2ccccc2)cc(NC(=O)OCc2ccccc2)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F.
What is the InChIKey of benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is CFSGADXBRCXTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44F3N3O5Si/c1-23(2)29(30(34(35,36)37)45-46(6,7)33(3,4)5)39-28(41)21-40-20-26(18-24-14-10-8-11-15-24)19-27(31(40)42)38-32(43)44-22-25-16-12-9-13-17-25/h8-17,19-20,23,29-30H,18,21-22H2,1-7H3,(H,38,43)(H,39,41).
What are the key properties of benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate?
benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 659.82 g/mol, XLogP of 7.28, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-benzyl-1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 22405589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).