N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide

C30H46F3N3O3Si — CID 70048047

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide
SMILESCCCCCNc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1=O
InChIInChI=1S/C30H46F3N3O3Si/c1-9-10-14-19-34-23-17-18-24(22-15-12-11-13-16-22)36(28(23)38)20-25(37)35-26(21(2)3)27(30(31,32)33)39-40(7,8)29(4,5)6/h11-13,15-18,21,26-27,34H,9-10,14,19-20H2,1-8H3,(H,35,37)
InChIKeyYWLZUDTXLLJOOO-UHFFFAOYSA-N
MW581.80 g/mol
LogP7.21
Rot. Bonds13

About N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide

N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide (PubChem CID 70048047) has the molecular formula C30H46F3N3O3Si and a molecular weight of 581.80 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide
PubChem CID70048047
Molecular FormulaC30H46F3N3O3Si
Molecular Weight581.80 g/mol
Exact Mass581.33
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide
SMILESCCCCCNc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1=O
InChIInChI=1S/C30H46F3N3O3Si/c1-9-10-14-19-34-23-17-18-24(22-15-12-11-13-16-22)36(28(23)38)20-25(37)35-26(21(2)3)27(30(31,32)33)39-40(7,8)29(4,5)6/h11-13,15-18,21,26-27,34H,9-10,14,19-20H2,1-8H3,(H,35,37)
InChIKeyYWLZUDTXLLJOOO-UHFFFAOYSA-N
XLogP7.21
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.80
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide (CID 70048047) is N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide is CCCCCNc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1=O.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide?
The InChIKey is YWLZUDTXLLJOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46F3N3O3Si/c1-9-10-14-19-34-23-17-18-24(22-15-12-11-13-16-22)36(28(23)38)20-25(37)35-26(21(2)3)27(30(31,32)33)39-40(7,8)29(4,5)6/h11-13,15-18,21,26-27,34H,9-10,14,19-20H2,1-8H3,(H,35,37).
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide?
N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide has a molecular weight of 581.80 g/mol, XLogP of 7.21, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide is sourced from PubChem (CID 70048047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).