2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide

C35H37N3O2Si — CID 58455817

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide
SMILESCc1ccc(-c2cnc(NC(=O)Cc3ccc(O[Si](C)(C)C(C)(C)C)cc3)c(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C35H37N3O2Si/c1-24-14-18-27(19-15-24)31-23-36-34(33(37-31)30-13-9-11-26-10-7-8-12-29(26)30)38-32(39)22-25-16-20-28(21-17-25)40-41(5,6)35(2,3)4/h7-21,23H,22H2,1-6H3,(H,36,38,39)
InChIKeyKFNIKYRRMJUWJK-UHFFFAOYSA-N
MW559.79 g/mol
LogP8.84
Rot. Bonds7

About 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide

2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide (PubChem CID 58455817) has the molecular formula C35H37N3O2Si and a molecular weight of 559.79 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide
PubChem CID58455817
Molecular FormulaC35H37N3O2Si
Molecular Weight559.79 g/mol
Exact Mass559.27
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide
SMILESCc1ccc(-c2cnc(NC(=O)Cc3ccc(O[Si](C)(C)C(C)(C)C)cc3)c(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C35H37N3O2Si/c1-24-14-18-27(19-15-24)31-23-36-34(33(37-31)30-13-9-11-26-10-7-8-12-29(26)30)38-32(39)22-25-16-20-28(21-17-25)40-41(5,6)35(2,3)4/h7-21,23H,22H2,1-6H3,(H,36,38,39)
InChIKeyKFNIKYRRMJUWJK-UHFFFAOYSA-N
XLogP8.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.79
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide (CID 58455817) is 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide is Cc1ccc(-c2cnc(NC(=O)Cc3ccc(O[Si](C)(C)C(C)(C)C)cc3)c(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide?
The InChIKey is KFNIKYRRMJUWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O2Si/c1-24-14-18-27(19-15-24)31-23-36-34(33(37-31)30-13-9-11-26-10-7-8-12-29(26)30)38-32(39)22-25-16-20-28(21-17-25)40-41(5,6)35(2,3)4/h7-21,23H,22H2,1-6H3,(H,36,38,39).
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide?
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide has a molecular weight of 559.79 g/mol, XLogP of 8.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-(4-methylphenyl)-3-naphthalen-1-ylpyrazin-2-yl]acetamide is sourced from PubChem (CID 58455817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).