methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate

C19H31NO4Si — CID 102407675

IUPACmethyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCOC(=O)C(C)(CCO[Si](C)(C)C(C)(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C19H31NO4Si/c1-18(2,3)25(6,7)24-14-13-19(4,17(22)23-5)20-16(21)15-11-9-8-10-12-15/h8-12H,13-14H2,1-7H3,(H,20,21)
InChIKeyIUQQPYXNKFLPCH-UHFFFAOYSA-N
MW365.55 g/mol
LogP3.76
Rot. Bonds7

About methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate

methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (PubChem CID 102407675) has the molecular formula C19H31NO4Si and a molecular weight of 365.55 g/mol. Its IUPAC name is methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
PubChem CID102407675
Molecular FormulaC19H31NO4Si
Molecular Weight365.55 g/mol
Exact Mass365.20
IUPAC Namemethyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCOC(=O)C(C)(CCO[Si](C)(C)C(C)(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C19H31NO4Si/c1-18(2,3)25(6,7)24-14-13-19(4,17(22)23-5)20-16(21)15-11-9-8-10-12-15/h8-12H,13-14H2,1-7H3,(H,20,21)
InChIKeyIUQQPYXNKFLPCH-UHFFFAOYSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
CID 102152083
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377
N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzamide
CID 154719744
N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide
CID 85242696
methyl 2-benzamido-2-sulfanylpropanoate
CID 53440930
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxyphosphorylmethoxy)-2-methylbutanoate
CID 138969798
N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide
CID 11324648
methyl (2R)-2-benzamido-2-bromo-3,3-dimethylbutanoate
CID 101241068
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-4-phenylhexan-2-one
CID 102367475
1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol
CID 59835981
6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione
CID 135028614

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The IUPAC name of methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (CID 102407675) is methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate.
What is the SMILES notation for methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The canonical SMILES for methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate is COC(=O)C(C)(CCO[Si](C)(C)C(C)(C)C)NC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The InChIKey is IUQQPYXNKFLPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4Si/c1-18(2,3)25(6,7)24-14-13-19(4,17(22)23-5)20-16(21)15-11-9-8-10-12-15/h8-12H,13-14H2,1-7H3,(H,20,21).
What are the key properties of methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate has a molecular weight of 365.55 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate is sourced from PubChem (CID 102407675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).