tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate

C20H42N2O4Si — CID 123313844

IUPACtert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate
SMILESCC(C)NC(=O)C(C)C(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42N2O4Si/c1-14(2)21-17(23)15(3)16(26-27(11,12)20(7,8)9)13-22(10)18(24)25-19(4,5)6/h14-16H,13H2,1-12H3,(H,21,23)
InChIKeyQHCWKYHWGJNQOR-UHFFFAOYSA-N
MW402.65 g/mol
LogP4.40
Rot. Bonds7

About tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate (PubChem CID 123313844) has the molecular formula C20H42N2O4Si and a molecular weight of 402.65 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate
PubChem CID123313844
Molecular FormulaC20H42N2O4Si
Molecular Weight402.65 g/mol
Exact Mass402.29
IUPAC Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate
SMILESCC(C)NC(=O)C(C)C(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42N2O4Si/c1-14(2)21-17(23)15(3)16(26-27(11,12)20(7,8)9)13-22(10)18(24)25-19(4,5)6/h14-16H,13H2,1-12H3,(H,21,23)
InChIKeyQHCWKYHWGJNQOR-UHFFFAOYSA-N
XLogP4.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.65
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86646376
[3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid
CID 90042224
3-[tert-butyl(dimethyl)silyl]oxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoic acid
CID 90700845
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
tert-butyl N-[3-[[amino-(propan-2-ylamino)methylidene]amino]-2-methylpropyl]-N-methylcarbamate;hydroiodide
CID 111808767
(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 88701729
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
S-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propan-2-yl] ethanethioate
CID 91382308
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate (CID 123313844) is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate is CC(C)NC(=O)C(C)C(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate?
The InChIKey is QHCWKYHWGJNQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O4Si/c1-14(2)21-17(23)15(3)16(26-27(11,12)20(7,8)9)13-22(10)18(24)25-19(4,5)6/h14-16H,13H2,1-12H3,(H,21,23).
What are the key properties of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate?
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate has a molecular weight of 402.65 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate is sourced from PubChem (CID 123313844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).