tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate

C19H39NO4Si — CID 90274253

IUPACtert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(COCOCCC[Si](C)(C)C)CC1CCC1
InChIInChI=1S/C19H39NO4Si/c1-19(2,3)24-18(21)20-17(13-16-9-7-10-16)14-23-15-22-11-8-12-25(4,5)6/h16-17H,7-15H2,1-6H3,(H,20,21)
InChIKeyOVYYPOCLDASMEQ-UHFFFAOYSA-N
MW373.61 g/mol
LogP4.79
Rot. Bonds11

About tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate

tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate (PubChem CID 90274253) has the molecular formula C19H39NO4Si and a molecular weight of 373.61 g/mol. Its IUPAC name is tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate
PubChem CID90274253
Molecular FormulaC19H39NO4Si
Molecular Weight373.61 g/mol
Exact Mass373.26
IUPAC Nametert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(COCOCCC[Si](C)(C)C)CC1CCC1
InChIInChI=1S/C19H39NO4Si/c1-19(2,3)24-18(21)20-17(13-16-9-7-10-16)14-23-15-22-11-8-12-25(4,5)6/h16-17H,7-15H2,1-6H3,(H,20,21)
InChIKeyOVYYPOCLDASMEQ-UHFFFAOYSA-N
XLogP4.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 69262733
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 20814414
tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate
CID 68715214
tert-butyl N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamate
CID 59382980
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
tert-butyl N-[3-cyclobutyl-1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 58987170
tert-butyl N-[(2S,4S,5R)-1-cyclohexyl-4-hydroxy-5-propan-2-ylhept-6-en-2-yl]carbamate
CID 56988028
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101268797

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate (CID 90274253) is tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(COCOCCC[Si](C)(C)C)CC1CCC1.
What is the InChIKey of tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate?
The InChIKey is OVYYPOCLDASMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO4Si/c1-19(2,3)24-18(21)20-17(13-16-9-7-10-16)14-23-15-22-11-8-12-25(4,5)6/h16-17H,7-15H2,1-6H3,(H,20,21).
What are the key properties of tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate?
tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate has a molecular weight of 373.61 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclobutyl-3-(3-trimethylsilylpropoxymethoxy)propan-2-yl]carbamate is sourced from PubChem (CID 90274253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).