tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate

C17H36N2O5Si — CID 59656752

IUPACtert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCON(C)C(=O)C(CO[Si](C)(C)C(C)(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H36N2O5Si/c1-16(2,3)24-15(21)18(7)13(14(20)19(8)22-9)12-23-25(10,11)17(4,5)6/h13H,12H2,1-11H3
InChIKeyYWZSFSKFBBYQJB-UHFFFAOYSA-N
MW376.57 g/mol
LogP3.26
Rot. Bonds6

About tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate

tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 59656752) has the molecular formula C17H36N2O5Si and a molecular weight of 376.57 g/mol. Its IUPAC name is tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
PubChem CID59656752
Molecular FormulaC17H36N2O5Si
Molecular Weight376.57 g/mol
Exact Mass376.24
IUPAC Nametert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCON(C)C(=O)C(CO[Si](C)(C)C(C)(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H36N2O5Si/c1-16(2,3)24-15(21)18(7)13(14(20)19(8)22-9)12-23-25(10,11)17(4,5)6/h13H,12H2,1-11H3
InChIKeyYWZSFSKFBBYQJB-UHFFFAOYSA-N
XLogP3.26
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl 4-[methoxy(methyl)amino]-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxobutanoate
CID 88965705
3-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 85357237
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594
[1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
CID 150950149
tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate
CID 59271881
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N,3,3-trimethylbutanamide
CID 11109525
[1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
CID 151226329
tert-butyl N-[(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-N-(2-oxopent-3-enyl)carbamate
CID 131735301
tert-butyl N-[(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-N-[(E)-2-oxopent-3-enyl]carbamate
CID 131735302
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
3-amino-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 167720958
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-sulfanylpropanoic acid
CID 22879372

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate (CID 59656752) is tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate is CON(C)C(=O)C(CO[Si](C)(C)C(C)(C)C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The InChIKey is YWZSFSKFBBYQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O5Si/c1-16(2,3)24-15(21)18(7)13(14(20)19(8)22-9)12-23-25(10,11)17(4,5)6/h13H,12H2,1-11H3.
What are the key properties of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate?
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 376.57 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 59656752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).