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

C21H34N2O3Si — CID 10620445

IUPACtert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESC/C=C(/CN(CC(=O)N(C)C)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H34N2O3Si/c1-9-17(27(7,8)18-13-11-10-12-14-18)15-23(16-19(24)22(5)6)20(25)26-21(2,3)4/h9-14H,15-16H2,1-8H3/b17-9-
InChIKeySUKDNBAMTNCHET-MFOYZWKCSA-N
MW390.60 g/mol
LogP3.41
Rot. Bonds6

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

tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (PubChem CID 10620445) has the molecular formula C21H34N2O3Si and a molecular weight of 390.60 g/mol. Its IUPAC name is tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
PubChem CID10620445
Molecular FormulaC21H34N2O3Si
Molecular Weight390.60 g/mol
Exact Mass390.23
IUPAC Nametert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESC/C=C(/CN(CC(=O)N(C)C)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H34N2O3Si/c1-9-17(27(7,8)18-13-11-10-12-14-18)15-23(16-19(24)22(5)6)20(25)26-21(2,3)4/h9-14H,15-16H2,1-8H3/b17-9-
InChIKeySUKDNBAMTNCHET-MFOYZWKCSA-N
XLogP3.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate
CID 10862968
tert-butyl N-[1-[2-[tert-butyl(diphenyl)silyl]-2-oxoacetyl]azetidin-3-yl]-N-methylcarbamate
CID 164519826
tert-butyl N-[1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate
CID 5249575
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-morpholin-4-yl-2-oxoethyl)carbamate
CID 10550707
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate
CID 10551545
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 10571594
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate
CID 10645537
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate
CID 10665354
tert-butyl N-(cyanomethyl)-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
CID 10688843
tert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
CID 10689707
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate
CID 10689976
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate
CID 10734411

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (CID 10620445) is tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is C/C=C(/CN(CC(=O)N(C)C)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The InChIKey is SUKDNBAMTNCHET-MFOYZWKCSA-N. The full InChI is InChI=1S/C21H34N2O3Si/c1-9-17(27(7,8)18-13-11-10-12-14-18)15-23(16-19(24)22(5)6)20(25)26-21(2,3)4/h9-14H,15-16H2,1-8H3/b17-9-.
What are the key properties of tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate has a molecular weight of 390.60 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is sourced from PubChem (CID 10620445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).