3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide

C23H33NO3Si — CID 11418148

IUPAC3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H33NO3Si/c1-23(2,3)28(20-12-8-6-9-13-20,21-14-10-7-11-15-21)27-18-19(17-25)16-22(26)24(4)5/h6-15,19,25H,16-18H2,1-5H3
InChIKeyCCHKLDZWGDUPSL-UHFFFAOYSA-N
MW399.61 g/mol
LogP2.65
Rot. Bonds8

About 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide

3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide (PubChem CID 11418148) has the molecular formula C23H33NO3Si and a molecular weight of 399.61 g/mol. Its IUPAC name is 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide
PubChem CID11418148
Molecular FormulaC23H33NO3Si
Molecular Weight399.61 g/mol
Exact Mass399.22
IUPAC Name3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H33NO3Si/c1-23(2,3)28(20-12-8-6-9-13-20,21-14-10-7-11-15-21)27-18-19(17-25)16-22(26)24(4)5/h6-15,19,25H,16-18H2,1-5H3
InChIKeyCCHKLDZWGDUPSL-UHFFFAOYSA-N
XLogP2.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.61
LogP ≤ 52.65
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

(2R)-2-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,3,3-trimethylbutanamide
CID 11133763
[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 134887002
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide
CID 11485968
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxybutanamide
CID 69025615
methyl N-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-N-(hydroxymethyl)carbamate
CID 145400593
(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide
CID 162456137
(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide
CID 162456238
4-[4-[Tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoic acid
CID 170573007
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide
CID 173960461
1-[(3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidin-1-yl]but-2-yn-1-one
CID 178119956
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide
CID 11133483
(3S,4R,7E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4,8,12-pentamethyltrideca-7,11-dienamide
CID 11342024

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide?
The IUPAC name of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide (CID 11418148) is 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide.
What is the SMILES notation for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide?
The canonical SMILES for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide is CN(C)C(=O)CC(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide?
The InChIKey is CCHKLDZWGDUPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3Si/c1-23(2,3)28(20-12-8-6-9-13-20,21-14-10-7-11-15-21)27-18-19(17-25)16-22(26)24(4)5/h6-15,19,25H,16-18H2,1-5H3.
What are the key properties of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide?
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide has a molecular weight of 399.61 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N-dimethylbutanamide is sourced from PubChem (CID 11418148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).