methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate

C19H33NO4Si — CID 11783543

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate
SMILESCOC(=O)CC(CCO[Si](C)(C)C(C)(C)C)Nc1ccccc1OC
InChIInChI=1S/C19H33NO4Si/c1-19(2,3)25(6,7)24-13-12-15(14-18(21)23-5)20-16-10-8-9-11-17(16)22-4/h8-11,15,20H,12-14H2,1-7H3
InChIKeyCBGXCYGLBUVKQI-UHFFFAOYSA-N
MW367.56 g/mol
LogP4.45
Rot. Bonds9

About methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate

methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate (PubChem CID 11783543) has the molecular formula C19H33NO4Si and a molecular weight of 367.56 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate
PubChem CID11783543
Molecular FormulaC19H33NO4Si
Molecular Weight367.56 g/mol
Exact Mass367.22
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate
SMILESCOC(=O)CC(CCO[Si](C)(C)C(C)(C)C)Nc1ccccc1OC
InChIInChI=1S/C19H33NO4Si/c1-19(2,3)25(6,7)24-13-12-15(14-18(21)23-5)20-16-10-8-9-11-17(16)22-4/h8-11,15,20H,12-14H2,1-7H3
InChIKeyCBGXCYGLBUVKQI-UHFFFAOYSA-N
XLogP4.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyanilino)-5-phenylmethoxyoctan-2-one
CID 10917891
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
methyl (E,4R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-2-enoate
CID 71547180
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 91742925
methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate
CID 15416909
methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]butanoate
CID 66894526
ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate
CID 61326624
3-methyl-N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]butanamide
CID 2302469
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate
CID 124629533
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
N-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-2-methylaniline
CID 102050161

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate (CID 11783543) is methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate is COC(=O)CC(CCO[Si](C)(C)C(C)(C)C)Nc1ccccc1OC.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate?
The InChIKey is CBGXCYGLBUVKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4Si/c1-19(2,3)25(6,7)24-13-12-15(14-18(21)23-5)20-16-10-8-9-11-17(16)22-4/h8-11,15,20H,12-14H2,1-7H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate?
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate has a molecular weight of 367.56 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyanilino)pentanoate is sourced from PubChem (CID 11783543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).