N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide

C18H28FNO3Si — CID 91093633

IUPACN-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cccc(F)c1)C(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28FNO3Si/c1-13(22)20-16(11-14-8-7-9-15(19)10-14)17(12-21)23-24(5,6)18(2,3)4/h7-10,12,16-17H,11H2,1-6H3,(H,20,22)
InChIKeyVGHDTKBGLIRPHG-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.46
Rot. Bonds7

About N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide

N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide (PubChem CID 91093633) has the molecular formula C18H28FNO3Si and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide
PubChem CID91093633
Molecular FormulaC18H28FNO3Si
Molecular Weight353.51 g/mol
Exact Mass353.18
IUPAC NameN-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cccc(F)c1)C(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28FNO3Si/c1-13(22)20-16(11-14-8-7-9-15(19)10-14)17(12-21)23-24(5,6)18(2,3)4/h7-10,12,16-17H,11H2,1-6H3,(H,20,22)
InChIKeyVGHDTKBGLIRPHG-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.46
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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Related Compounds

(3R,4S)-3-[(Triethylsilyl)oxy]-4-phenyl-2-azetidinone
CID 10826417
(3R,4S)-3-Triisopropylsilyloxy-4-phenyl-2-azetidinone
CID 10936090
(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 14807861
5-[3-(Tert-butyldimethyl-silanyloxy)-4-(3-fluoro-phenyl)-butyl]-pyrrolidin-2-one
CID 12970095
3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide
CID 21198995
N-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-1-phenylbutan-2-yl]-2-iodoacetamide
CID 21851421
5-[3-(Tert-butyl-dimethyl-silanyloxy)4-(4-fluoro-phenyl)-butyl]-pyrrolidin-2-one
CID 22712520
5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide
CID 23439320
(3R)-3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide
CID 54005845
(3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-hydroxybutanamide
CID 54095239
(3R,4S)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57784905
(3R)-3-amino-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]-2-propan-2-yloxybutanamide
CID 58534653

Frequently Asked Questions

What is the IUPAC name of N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide?
The IUPAC name of N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide (CID 91093633) is N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide is CC(=O)NC(Cc1cccc(F)c1)C(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide?
The InChIKey is VGHDTKBGLIRPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO3Si/c1-13(22)20-16(11-14-8-7-9-15(19)10-14)17(12-21)23-24(5,6)18(2,3)4/h7-10,12,16-17H,11H2,1-6H3,(H,20,22).
What are the key properties of N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide?
N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide has a molecular weight of 353.51 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide is sourced from PubChem (CID 91093633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).