1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide

C37H47NO2Si2 — CID 12986811

IUPAC1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide
SMILESCN(C/C=C/[Si](C)(C)c1ccccc1)C(=O)C1(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CCC=C1
InChIInChI=1S/C37H47NO2Si2/c1-36(2,3)42(33-22-13-8-14-23-33,34-24-15-9-16-25-34)40-30-28-37(26-17-10-18-27-37)35(39)38(4)29-19-31-41(5,6)32-20-11-7-12-21-32/h7-9,11-27,31H,10,28-30H2,1-6H3/b31-19+
InChIKeyHHUZLVFLHQFCTF-ZCTHSVRISA-N
MW593.96 g/mol
LogP6.62
Rot. Bonds11

About 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide

1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide (PubChem CID 12986811) has the molecular formula C37H47NO2Si2 and a molecular weight of 593.96 g/mol. Its IUPAC name is 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide.

Molecular Properties

Compound Name1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide
PubChem CID12986811
Molecular FormulaC37H47NO2Si2
Molecular Weight593.96 g/mol
Exact Mass593.31
IUPAC Name1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide
SMILESCN(C/C=C/[Si](C)(C)c1ccccc1)C(=O)C1(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CCC=C1
InChIInChI=1S/C37H47NO2Si2/c1-36(2,3)42(33-22-13-8-14-23-33,34-24-15-9-16-25-34)40-30-28-37(26-17-10-18-27-37)35(39)38(4)29-19-31-41(5,6)32-20-11-7-12-21-32/h7-9,11-27,31H,10,28-30H2,1-6H3/b31-19+
InChIKeyHHUZLVFLHQFCTF-ZCTHSVRISA-N
XLogP6.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.96
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide
CID 11342364
[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 134887002
4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethylpentanamide
CID 10574511
4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethyl-2-phenylselanylpentanamide
CID 10769600
(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide
CID 11273241
4-[Tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-ylbutan-1-one
CID 12169292
[1-[2-[Tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 101263527

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide?
The IUPAC name of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide (CID 12986811) is 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide.
What is the SMILES notation for 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide?
The canonical SMILES for 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide is CN(C/C=C/[Si](C)(C)c1ccccc1)C(=O)C1(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CCC=C1.
What is the InChIKey of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide?
The InChIKey is HHUZLVFLHQFCTF-ZCTHSVRISA-N. The full InChI is InChI=1S/C37H47NO2Si2/c1-36(2,3)42(33-22-13-8-14-23-33,34-24-15-9-16-25-34)40-30-28-37(26-17-10-18-27-37)35(39)38(4)29-19-31-41(5,6)32-20-11-7-12-21-32/h7-9,11-27,31H,10,28-30H2,1-6H3/b31-19+.
What are the key properties of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide?
1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide has a molecular weight of 593.96 g/mol, XLogP of 6.62, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide is sourced from PubChem (CID 12986811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).