tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate

C19H32N2O3Si — CID 174058064

IUPACtert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C19H32N2O3Si/c1-15(20-18(23)24-19(2,3)4)17(22)21(14-25(5,6)7)13-16-11-9-8-10-12-16/h8-12,15H,13-14H2,1-7H3,(H,20,23)
InChIKeyIJACWEJBWUMMGO-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.81
Rot. Bonds6

About tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 174058064) has the molecular formula C19H32N2O3Si and a molecular weight of 364.56 g/mol. Its IUPAC name is tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID174058064
Molecular FormulaC19H32N2O3Si
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC Nametert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C19H32N2O3Si/c1-15(20-18(23)24-19(2,3)4)17(22)21(14-25(5,6)7)13-16-11-9-8-10-12-16/h8-12,15H,13-14H2,1-7H3,(H,20,23)
InChIKeyIJACWEJBWUMMGO-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.81
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

methyl 2-[benzyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 59710144
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CID 73195489
(2R)-2-[benzyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoic acid
CID 170433979
tert-butyl N-[(2S)-1-[benzyl-[3-[benzyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 10628201
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 86921437
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tert-butyl N-[1-[benzyl-(2-chloroacetyl)amino]propan-2-yl]carbamate
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tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110409575
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
tert-butyl N-[(2R,3S)-2-[benzyl(hydroxy)amino]-4-methylpentan-3-yl]carbamate
CID 130869227
tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate (CID 174058064) is tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C[Si](C)(C)C.
What is the InChIKey of tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is IJACWEJBWUMMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3Si/c1-15(20-18(23)24-19(2,3)4)17(22)21(14-25(5,6)7)13-16-11-9-8-10-12-16/h8-12,15H,13-14H2,1-7H3,(H,20,23).
What are the key properties of tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 364.56 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[benzyl(trimethylsilylmethyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 174058064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).