tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate

C19H29NO3Si — CID 10665354

IUPACtert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate
SMILESC/C=C(/CN(CC=O)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H29NO3Si/c1-7-16(24(5,6)17-11-9-8-10-12-17)15-20(13-14-21)18(22)23-19(2,3)4/h7-12,14H,13,15H2,1-6H3/b16-7-
InChIKeyQEOCTCUDLINKMC-APSNUPSMSA-N
MW347.53 g/mol
LogP3.52
Rot. Bonds6

About tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate

tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate (PubChem CID 10665354) has the molecular formula C19H29NO3Si and a molecular weight of 347.53 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate
PubChem CID10665354
Molecular FormulaC19H29NO3Si
Molecular Weight347.53 g/mol
Exact Mass347.19
IUPAC Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate
SMILESC/C=C(/CN(CC=O)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H29NO3Si/c1-7-16(24(5,6)17-11-9-8-10-12-17)15-20(13-14-21)18(22)23-19(2,3)4/h7-12,14H,13,15H2,1-6H3/b16-7-
InChIKeyQEOCTCUDLINKMC-APSNUPSMSA-N
XLogP3.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate
CID 10550707
tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
CID 11189251
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 11352581
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 11374604
tert-butyl N-benzyl-N-formylcarbamate
CID 53419906
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate
CID 101196840
tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
CID 11575431
tert-butyl N-benzyl-N-[(3S)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
CID 11589908
tert-butyl N-(2-oxoethyl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 57003733
tert-butyl N-[(2-methylcyclopropyl)methyl]-N-(2-oxoethyl)carbamate
CID 139293232
tert-butyl N-[(Z)-2-(benzenesulfonyl)but-2-enyl]-N-benzylcarbamate
CID 10621089
tert-butyl N-benzyl-N-(2-oxohex-5-enyl)carbamate
CID 165471210

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate (CID 10665354) is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate is C/C=C(/CN(CC=O)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate?
The InChIKey is QEOCTCUDLINKMC-APSNUPSMSA-N. The full InChI is InChI=1S/C19H29NO3Si/c1-7-16(24(5,6)17-11-9-8-10-12-17)15-20(13-14-21)18(22)23-19(2,3)4/h7-12,14H,13,15H2,1-6H3/b16-7-.
What are the key properties of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate?
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate has a molecular weight of 347.53 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate is sourced from PubChem (CID 10665354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).