methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate

C17H30N2O3Si — CID 177149312

IUPACmethyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate
SMILESCOC(=O)c1ccc(NCCO[Si](C)(C)C(C)(C)C)c(N)c1C
InChIInChI=1S/C17H30N2O3Si/c1-12-13(16(20)21-5)8-9-14(15(12)18)19-10-11-22-23(6,7)17(2,3)4/h8-9,19H,10-11,18H2,1-7H3
InChIKeyQLLYIAJMTPMIOE-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.80
Rot. Bonds6

About methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate

methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate (PubChem CID 177149312) has the molecular formula C17H30N2O3Si and a molecular weight of 338.52 g/mol. Its IUPAC name is methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate
PubChem CID177149312
Molecular FormulaC17H30N2O3Si
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Namemethyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate
SMILESCOC(=O)c1ccc(NCCO[Si](C)(C)C(C)(C)C)c(N)c1C
InChIInChI=1S/C17H30N2O3Si/c1-12-13(16(20)21-5)8-9-14(15(12)18)19-10-11-22-23(6,7)17(2,3)4/h8-9,19H,10-11,18H2,1-7H3
InChIKeyQLLYIAJMTPMIOE-UHFFFAOYSA-N
XLogP3.80
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-2-methyl-4-(2-methylsulfonylethylamino)benzoate
CID 177149288
methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate
CID 167729628
methyl 3-amino-4-hydroxy-2-methylbenzoate
CID 84768345
1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine
CID 168827188
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate
CID 11001374
methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate
CID 139036162
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate
CID 101254875
ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate
CID 87184157
methyl 2,3-difluoro-4-(2-propan-2-yloxyethylamino)benzoate
CID 104762460
methyl 4-(2-carbamoyloxyethylamino)-2,3-difluorobenzoate
CID 83205058
methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate
CID 83203952
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate
CID 91756282

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate?
The IUPAC name of methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate (CID 177149312) is methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate?
The canonical SMILES for methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate is COC(=O)c1ccc(NCCO[Si](C)(C)C(C)(C)C)c(N)c1C.
What is the InChIKey of methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate?
The InChIKey is QLLYIAJMTPMIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3Si/c1-12-13(16(20)21-5)8-9-14(15(12)18)19-10-11-22-23(6,7)17(2,3)4/h8-9,19H,10-11,18H2,1-7H3.
What are the key properties of methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate?
methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate has a molecular weight of 338.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate is sourced from PubChem (CID 177149312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).