benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate

C34H44F3N3O6Si — CID 10078234

IUPACbenzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate
SMILESCOc1ccc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)cc1
InChIInChI=1S/C34H44F3N3O6Si/c1-22(2)29(30(34(35,36)37)46-47(7,8)33(3,4)5)39-28(41)20-40-27(24-14-16-25(44-6)17-15-24)19-18-26(31(40)42)38-32(43)45-21-23-12-10-9-11-13-23/h9-19,22,29-30H,20-21H2,1-8H3,(H,38,43)(H,39,41)
InChIKeyDWXZNXFWLGOKAN-UHFFFAOYSA-N
MW675.82 g/mol
LogP7.37
Rot. Bonds12

About benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate

benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 10078234) has the molecular formula C34H44F3N3O6Si and a molecular weight of 675.82 g/mol. Its IUPAC name is benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate
PubChem CID10078234
Molecular FormulaC34H44F3N3O6Si
Molecular Weight675.82 g/mol
Exact Mass675.30
IUPAC Namebenzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate
SMILESCOc1ccc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)cc1
InChIInChI=1S/C34H44F3N3O6Si/c1-22(2)29(30(34(35,36)37)46-47(7,8)33(3,4)5)39-28(41)20-40-27(24-14-16-25(44-6)17-15-24)19-18-26(31(40)42)38-32(43)45-21-23-12-10-9-11-13-23/h9-19,22,29-30H,20-21H2,1-8H3,(H,38,43)(H,39,41)
InChIKeyDWXZNXFWLGOKAN-UHFFFAOYSA-N
XLogP7.37
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.82
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate (CID 10078234) is benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate is COc1ccc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)cc1.
What is the InChIKey of benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate?
The InChIKey is DWXZNXFWLGOKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44F3N3O6Si/c1-22(2)29(30(34(35,36)37)46-47(7,8)33(3,4)5)39-28(41)20-40-27(24-14-16-25(44-6)17-15-24)19-18-26(31(40)42)38-32(43)45-21-23-12-10-9-11-13-23/h9-19,22,29-30H,20-21H2,1-8H3,(H,38,43)(H,39,41).
What are the key properties of benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate?
benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 675.82 g/mol, XLogP of 7.37, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 10078234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).