N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide

C18H28FNO3Si — CID 87759429

IUPACN-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@@](C)(c1cccc(F)c1)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28FNO3Si/c1-13(22)20-18(5,14-9-8-10-15(19)11-14)16(12-21)23-24(6,7)17(2,3)4/h8-12,16H,1-7H3,(H,20,22)/t16-,18+/m1/s1
InChIKeyMNJCJHGNPRZTQZ-AEFFLSMTSA-N
MW353.51 g/mol
LogP3.77
Rot. Bonds6

About N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide

N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide (PubChem CID 87759429) has the molecular formula C18H28FNO3Si and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide
PubChem CID87759429
Molecular FormulaC18H28FNO3Si
Molecular Weight353.51 g/mol
Exact Mass353.18
IUPAC NameN-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@@](C)(c1cccc(F)c1)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28FNO3Si/c1-13(22)20-18(5,14-9-8-10-15(19)11-14)16(12-21)23-24(6,7)17(2,3)4/h8-12,16H,1-7H3,(H,20,22)/t16-,18+/m1/s1
InChIKeyMNJCJHGNPRZTQZ-AEFFLSMTSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide?
The IUPAC name of N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide (CID 87759429) is N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide is CC(=O)N[C@@](C)(c1cccc(F)c1)[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide?
The InChIKey is MNJCJHGNPRZTQZ-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H28FNO3Si/c1-13(22)20-18(5,14-9-8-10-15(19)11-14)16(12-21)23-24(6,7)17(2,3)4/h8-12,16H,1-7H3,(H,20,22)/t16-,18+/m1/s1.
What are the key properties of N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide?
N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide has a molecular weight of 353.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide is sourced from PubChem (CID 87759429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).