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

C20H32N2O3Si — CID 10571594

IUPACtert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate
SMILESC/C=C(/CN(CC(=O)NC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H32N2O3Si/c1-8-16(26(6,7)17-12-10-9-11-13-17)14-22(15-18(23)21-5)19(24)25-20(2,3)4/h8-13H,14-15H2,1-7H3,(H,21,23)/b16-8-
InChIKeyUCFHMIFQBRDJAW-PXNMLYILSA-N
MW376.57 g/mol
LogP3.07
Rot. Bonds6

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

tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate (PubChem CID 10571594) has the molecular formula C20H32N2O3Si and a molecular weight of 376.57 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate
PubChem CID10571594
Molecular FormulaC20H32N2O3Si
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate
SMILESC/C=C(/CN(CC(=O)NC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H32N2O3Si/c1-8-16(26(6,7)17-12-10-9-11-13-17)14-22(15-18(23)21-5)19(24)25-20(2,3)4/h8-13H,14-15H2,1-7H3,(H,21,23)/b16-8-
InChIKeyUCFHMIFQBRDJAW-PXNMLYILSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.07
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

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-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate
CID 11381145
tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate
CID 101251333
tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate
CID 138980071
benzene;tert-butyl N-(2-aminoethyl)-N-ethylcarbamate
CID 165115544
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-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate
CID 10572507
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
CID 10614553
tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
CID 10620445
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate
CID 10665354
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate
CID 10689976

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate (CID 10571594) is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate is C/C=C(/CN(CC(=O)NC)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-(methylamino)-2-oxoethyl]carbamate?
The InChIKey is UCFHMIFQBRDJAW-PXNMLYILSA-N. The full InChI is InChI=1S/C20H32N2O3Si/c1-8-16(26(6,7)17-12-10-9-11-13-17)14-22(15-18(23)21-5)19(24)25-20(2,3)4/h8-13H,14-15H2,1-7H3,(H,21,23)/b16-8-.
What are the key properties of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate?
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate has a molecular weight of 376.57 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 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-(methylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 10571594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).