N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide

C27H33NO2Si — CID 11037409

IUPACN-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide
SMILESCC(C)(C)[Si](OCCCC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33NO2Si/c1-27(2,3)31(24-16-9-5-10-17-24,25-18-11-6-12-19-25)30-21-13-20-26(29)28-22-23-14-7-4-8-15-23/h4-12,14-19H,13,20-22H2,1-3H3,(H,28,29)
InChIKeyVICFVRTTXZBPQO-UHFFFAOYSA-N
MW431.65 g/mol
LogP4.66
Rot. Bonds9

About N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide

N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide (PubChem CID 11037409) has the molecular formula C27H33NO2Si and a molecular weight of 431.65 g/mol. Its IUPAC name is N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide.

Molecular Properties

Compound NameN-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide
PubChem CID11037409
Molecular FormulaC27H33NO2Si
Molecular Weight431.65 g/mol
Exact Mass431.23
IUPAC NameN-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide
SMILESCC(C)(C)[Si](OCCCC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33NO2Si/c1-27(2,3)31(24-16-9-5-10-17-24,25-18-11-6-12-19-25)30-21-13-20-26(29)28-22-23-14-7-4-8-15-23/h4-12,14-19H,13,20-22H2,1-3H3,(H,28,29)
InChIKeyVICFVRTTXZBPQO-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.65
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(4-(di-tert-butylfluorosilyl)phenyl)acetamide
CID 57568284
N,N',N'-tribenzylbutanediamide
CID 4555128
(2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide
CID 10503283
(E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide
CID 15965604
N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide
CID 85162813
N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-4-methylbenzamide
CID 141146961
Benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium
CID 143652388
1-benzyl-3-[(1R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-2,3-dimethylbutyl]urea
CID 173560740
(1R,3S)-N-benzyl-4-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-2,3-dimethylbutan-1-amine
CID 173563704
N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide
CID 10544650
N-benzyl-4-trimethylsilyloxybutanamide
CID 10901523
N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanethioamide
CID 10972356

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide?
The IUPAC name of N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide (CID 11037409) is N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide.
What is the SMILES notation for N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide?
The canonical SMILES for N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide is CC(C)(C)[Si](OCCCC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide?
The InChIKey is VICFVRTTXZBPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO2Si/c1-27(2,3)31(24-16-9-5-10-17-24,25-18-11-6-12-19-25)30-21-13-20-26(29)28-22-23-14-7-4-8-15-23/h4-12,14-19H,13,20-22H2,1-3H3,(H,28,29).
What are the key properties of N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide?
N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide has a molecular weight of 431.65 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide is sourced from PubChem (CID 11037409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).