N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide

C18H31NO3Si — CID 11645759

IUPACN-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H](CCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H31NO3Si/c1-18(2,3)23(5,6)22-13-12-16(19-17(20)14-21-4)15-10-8-7-9-11-15/h7-11,16H,12-14H2,1-6H3,(H,19,20)/t16-/m0/s1
InChIKeyNCNNKRWSEQUMAH-INIZCTEOSA-N
MW337.54 g/mol
LogP3.90
Rot. Bonds8

About N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide

N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide (PubChem CID 11645759) has the molecular formula C18H31NO3Si and a molecular weight of 337.54 g/mol. Its IUPAC name is N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide
PubChem CID11645759
Molecular FormulaC18H31NO3Si
Molecular Weight337.54 g/mol
Exact Mass337.21
IUPAC NameN-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H](CCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H31NO3Si/c1-18(2,3)23(5,6)22-13-12-16(19-17(20)14-21-4)15-10-8-7-9-11-15/h7-11,16H,12-14H2,1-6H3,(H,19,20)/t16-/m0/s1
InChIKeyNCNNKRWSEQUMAH-INIZCTEOSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(diphenylmethyl)-2-methoxyacetamide
CID 798780
2-Methoxy-N-((1R)-1-phenylethyl)acetamide
CID 835321
N-benzyl-2-methoxyacetamide
CID 836024
2-methoxy-N-(1-phenylethyl)acetamide
CID 4308652
(5S)-5-phenylmorpholin-3-one
CID 11105904
(5R)-5-Phenylmorpholin-3-one
CID 44195698
2-ethoxy-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]acetamide
CID 72015317
5-Phenylmorpholin-3-one
CID 23071538
2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 81349816
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide
CID 81350028
2-ethoxy-2-fluoro-N-(1-phenylethyl)acetamide
CID 134893612
N-[2-(fluoromethoxy)-1-phenylethyl]acetamide
CID 177853407

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide?
The IUPAC name of N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide (CID 11645759) is N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide is COCC(=O)N[C@@H](CCO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide?
The InChIKey is NCNNKRWSEQUMAH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H31NO3Si/c1-18(2,3)23(5,6)22-13-12-16(19-17(20)14-21-4)15-10-8-7-9-11-15/h7-11,16H,12-14H2,1-6H3,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide?
N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide has a molecular weight of 337.54 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide is sourced from PubChem (CID 11645759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).