N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide

C17H29NO4Si — CID 134957452

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C17H29NO4Si/c1-17(2,3)23(6,7)22-9-8-18-16(19)13-10-14(20-4)12-15(11-13)21-5/h10-12H,8-9H2,1-7H3,(H,18,19)
InChIKeyHWJDIQDOLHLPDG-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.46
Rot. Bonds7

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide (PubChem CID 134957452) has the molecular formula C17H29NO4Si and a molecular weight of 339.51 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide
PubChem CID134957452
Molecular FormulaC17H29NO4Si
Molecular Weight339.51 g/mol
Exact Mass339.19
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C17H29NO4Si/c1-17(2,3)23(6,7)22-9-8-18-16(19)13-10-14(20-4)12-15(11-13)21-5/h10-12H,8-9H2,1-7H3,(H,18,19)
InChIKeyHWJDIQDOLHLPDG-UHFFFAOYSA-N
XLogP3.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
CID 90523388
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate
CID 58377303
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
3,5-dimethoxy-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718557
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide (CID 134957452) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide?
The InChIKey is HWJDIQDOLHLPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4Si/c1-17(2,3)23(6,7)22-9-8-18-16(19)13-10-14(20-4)12-15(11-13)21-5/h10-12H,8-9H2,1-7H3,(H,18,19).
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide has a molecular weight of 339.51 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 134957452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).