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

C42H61N3O4Si3 — CID 90138567

IUPACN-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide
SMILESCC(C)(Cc1ccc(CC(=O)Nc2ncc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)nc2-c2ccc(CC(C)(C)[Si](C)(C)O)cc2)cc1)[Si](C)(C)O
InChIInChI=1S/C42H61N3O4Si3/c1-40(2,3)52(12,13)49-35-24-22-33(23-25-35)36-29-43-39(38(44-36)34-20-18-32(19-21-34)28-42(6,7)51(10,11)48)45-37(46)26-30-14-16-31(17-15-30)27-41(4,5)50(8,9)47/h14-25,29,47-48H,26-28H2,1-13H3,(H,43,45,46)
InChIKeyQLCHLVLEXPDZCF-UHFFFAOYSA-N
MW756.23 g/mol
LogP10.42
Rot. Bonds13

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

N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide (PubChem CID 90138567) has the molecular formula C42H61N3O4Si3 and a molecular weight of 756.23 g/mol. Its IUPAC name is N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide
PubChem CID90138567
Molecular FormulaC42H61N3O4Si3
Molecular Weight756.23 g/mol
Exact Mass755.40
IUPAC NameN-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide
SMILESCC(C)(Cc1ccc(CC(=O)Nc2ncc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)nc2-c2ccc(CC(C)(C)[Si](C)(C)O)cc2)cc1)[Si](C)(C)O
InChIInChI=1S/C42H61N3O4Si3/c1-40(2,3)52(12,13)49-35-24-22-33(23-25-35)36-29-43-39(38(44-36)34-20-18-32(19-21-34)28-42(6,7)51(10,11)48)45-37(46)26-30-14-16-31(17-15-30)27-41(4,5)50(8,9)47/h14-25,29,47-48H,26-28H2,1-13H3,(H,43,45,46)
InChIKeyQLCHLVLEXPDZCF-UHFFFAOYSA-N
XLogP10.42
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.23
LogP ≤ 510.42
H-Bond Donors ≤ 53
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 N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide?
The IUPAC name of N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide (CID 90138567) is N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide.
What is the SMILES notation for N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide?
The canonical SMILES for N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide is CC(C)(Cc1ccc(CC(=O)Nc2ncc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)nc2-c2ccc(CC(C)(C)[Si](C)(C)O)cc2)cc1)[Si](C)(C)O.
What is the InChIKey of N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide?
The InChIKey is QLCHLVLEXPDZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H61N3O4Si3/c1-40(2,3)52(12,13)49-35-24-22-33(23-25-35)36-29-43-39(38(44-36)34-20-18-32(19-21-34)28-42(6,7)51(10,11)48)45-37(46)26-30-14-16-31(17-15-30)27-41(4,5)50(8,9)47/h14-25,29,47-48H,26-28H2,1-13H3,(H,43,45,46).
What are the key properties of N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide?
N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide has a molecular weight of 756.23 g/mol, XLogP of 10.42, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]pyrazin-2-yl]-2-[4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]acetamide is sourced from PubChem (CID 90138567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).