N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide

C17H28ClNO2Si — CID 66761148

IUPACN-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C17H28ClNO2Si/c1-13(20)19(5)11-14-8-9-16(18)15(10-14)12-21-22(6,7)17(2,3)4/h8-10H,11-12H2,1-7H3
InChIKeyMOCGMNYADPLJRZ-UHFFFAOYSA-N
MW341.96 g/mol
LogP4.84
Rot. Bonds5

About N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide

N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide (PubChem CID 66761148) has the molecular formula C17H28ClNO2Si and a molecular weight of 341.96 g/mol. Its IUPAC name is N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide
PubChem CID66761148
Molecular FormulaC17H28ClNO2Si
Molecular Weight341.96 g/mol
Exact Mass341.16
IUPAC NameN-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C17H28ClNO2Si/c1-13(20)19(5)11-14-8-9-16(18)15(10-14)12-21-22(6,7)17(2,3)4/h8-10H,11-12H2,1-7H3
InChIKeyMOCGMNYADPLJRZ-UHFFFAOYSA-N
XLogP4.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.96
LogP ≤ 54.84
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-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide (CID 66761148) is N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide?
The InChIKey is MOCGMNYADPLJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2Si/c1-13(20)19(5)11-14-8-9-16(18)15(10-14)12-21-22(6,7)17(2,3)4/h8-10H,11-12H2,1-7H3.
What are the key properties of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide?
N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide has a molecular weight of 341.96 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 66761148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).