N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide

C31H41NO2Si — CID 10743595

IUPACN-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)N(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)(C)C)c1
InChIInChI=1S/C31H41NO2Si/c1-24-19-20-25(2)28(23-24)29(33)32(30(3,4)5)21-22-34-35(31(6,7)8,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-20,23H,21-22H2,1-8H3
InChIKeyHXDNFRCDCCVAKA-UHFFFAOYSA-N
MW487.76 g/mol
LogP6.12
Rot. Bonds7

About N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide

N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide (PubChem CID 10743595) has the molecular formula C31H41NO2Si and a molecular weight of 487.76 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide
PubChem CID10743595
Molecular FormulaC31H41NO2Si
Molecular Weight487.76 g/mol
Exact Mass487.29
IUPAC NameN-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)N(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)(C)C)c1
InChIInChI=1S/C31H41NO2Si/c1-24-19-20-25(2)28(23-24)29(33)32(30(3,4)5)21-22-34-35(31(6,7)8,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-20,23H,21-22H2,1-8H3
InChIKeyHXDNFRCDCCVAKA-UHFFFAOYSA-N
XLogP6.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.76
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide?
The IUPAC name of N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide (CID 10743595) is N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)N(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide?
The InChIKey is HXDNFRCDCCVAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41NO2Si/c1-24-19-20-25(2)28(23-24)29(33)32(30(3,4)5)21-22-34-35(31(6,7)8,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-20,23H,21-22H2,1-8H3.
What are the key properties of N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide?
N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide has a molecular weight of 487.76 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 10743595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).