2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide

C38H52N4O3Si2 — CID 67432425

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide
SMILESCN(C)c1ccc(-c2nc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)cnc2NC(=O)Cc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C38H52N4O3Si2/c1-37(2,3)46(9,10)44-31-21-13-27(14-22-31)25-34(43)41-36-35(29-15-19-30(20-16-29)42(7)8)40-33(26-39-36)28-17-23-32(24-18-28)45-47(11,12)38(4,5)6/h13-24,26H,25H2,1-12H3,(H,39,41,43)
InChIKeyQHVQAXLISWAMMN-UHFFFAOYSA-N
MW669.03 g/mol
LogP9.83
Rot. Bonds10

About 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide

2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide (PubChem CID 67432425) has the molecular formula C38H52N4O3Si2 and a molecular weight of 669.03 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide
PubChem CID67432425
Molecular FormulaC38H52N4O3Si2
Molecular Weight669.03 g/mol
Exact Mass668.36
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide
SMILESCN(C)c1ccc(-c2nc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)cnc2NC(=O)Cc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C38H52N4O3Si2/c1-37(2,3)46(9,10)44-31-21-13-27(14-22-31)25-34(43)41-36-35(29-15-19-30(20-16-29)42(7)8)40-33(26-39-36)28-17-23-32(24-18-28)45-47(11,12)38(4,5)6/h13-24,26H,25H2,1-12H3,(H,39,41,43)
InChIKeyQHVQAXLISWAMMN-UHFFFAOYSA-N
XLogP9.83
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.03
LogP ≤ 59.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide (CID 67432425) is 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide is CN(C)c1ccc(-c2nc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)cnc2NC(=O)Cc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide?
The InChIKey is QHVQAXLISWAMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H52N4O3Si2/c1-37(2,3)46(9,10)44-31-21-13-27(14-22-31)25-34(43)41-36-35(29-15-19-30(20-16-29)42(7)8)40-33(26-39-36)28-17-23-32(24-18-28)45-47(11,12)38(4,5)6/h13-24,26H,25H2,1-12H3,(H,39,41,43).
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide?
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide has a molecular weight of 669.03 g/mol, XLogP of 9.83, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(dimethylamino)phenyl]pyrazin-2-yl]acetamide is sourced from PubChem (CID 67432425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).