N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide

C22H37NO2Si2 — CID 15447303

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide
SMILESCC(C)(C)[Si](C)(C)OCC(NC(=O)CCC#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C22H37NO2Si2/c1-22(2,3)27(7,8)25-18-20(19-14-10-9-11-15-19)23-21(24)16-12-13-17-26(4,5)6/h9-11,14-15,20H,12,16,18H2,1-8H3,(H,23,24)
InChIKeyGZTLYAWSOBDINV-UHFFFAOYSA-N
MW403.72 g/mol
LogP5.53
Rot. Bonds7

About N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide

N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide (PubChem CID 15447303) has the molecular formula C22H37NO2Si2 and a molecular weight of 403.72 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide
PubChem CID15447303
Molecular FormulaC22H37NO2Si2
Molecular Weight403.72 g/mol
Exact Mass403.24
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide
SMILESCC(C)(C)[Si](C)(C)OCC(NC(=O)CCC#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C22H37NO2Si2/c1-22(2,3)27(7,8)25-18-20(19-14-10-9-11-15-19)23-21(24)16-12-13-17-26(4,5)6/h9-11,14-15,20H,12,16,18H2,1-8H3,(H,23,24)
InChIKeyGZTLYAWSOBDINV-UHFFFAOYSA-N
XLogP5.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.72
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(9Z,12Z)-N-(2-hydroxy-1-phenylethyl)octadeca-9,12-dienamide
CID 162643233
(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
(E)-N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethyl]-3-phenylprop-2-enamide
CID 69674535
N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethyl]-3-phenylprop-2-enamide
CID 77699775
(2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide
CID 10545626
(2S)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide
CID 10641415
N-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]-2-methoxyacetamide
CID 11645759
(2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
CID 11750809
N-(1-benzyl-2-hydroxyethyl)-3-(trimethylsilyl)prop-2-ynamide
CID 72974559
1-((r)-2-[(t-Butyldimethylsilyl) oxy]-1-phenylethyl)-3-methylpiperidin-2-one
CID 129774219

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide (CID 15447303) is N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide is CC(C)(C)[Si](C)(C)OCC(NC(=O)CCC#C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide?
The InChIKey is GZTLYAWSOBDINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2Si2/c1-22(2,3)27(7,8)25-18-20(19-14-10-9-11-15-19)23-21(24)16-12-13-17-26(4,5)6/h9-11,14-15,20H,12,16,18H2,1-8H3,(H,23,24).
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide?
N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide has a molecular weight of 403.72 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-trimethylsilylpent-4-ynamide is sourced from PubChem (CID 15447303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).