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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Related Compounds

(Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
CID 15969832
2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethylcarbamic acid
CID 174053128
N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[3-ethylhexan-3-yl(2-hydroxyethyl)carbamoyl]phenyl]-3-oxobutyl]benzamide
CID 11803472
2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
CID 67674409
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol
CID 169273518
[(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11113721
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide
CID 10748727
[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
CID 58682742
benzyl 3-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(3-oxo-3-phenylmethoxypropyl)amino]ethyl-(3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 21359594

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).