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

C20H31NO3Si — CID 10689976

IUPACtert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate
SMILESC/C=C(/CN(CC(C)=O)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H31NO3Si/c1-8-17(25(6,7)18-12-10-9-11-13-18)15-21(14-16(2)22)19(23)24-20(3,4)5/h8-13H,14-15H2,1-7H3/b17-8-
InChIKeyRHNZKXVLHXQRGV-IUXPMGMMSA-N
MW361.56 g/mol
LogP3.91
Rot. Bonds6

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

tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate (PubChem CID 10689976) has the molecular formula C20H31NO3Si and a molecular weight of 361.56 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate
PubChem CID10689976
Molecular FormulaC20H31NO3Si
Molecular Weight361.56 g/mol
Exact Mass361.21
IUPAC Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate
SMILESC/C=C(/CN(CC(C)=O)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H31NO3Si/c1-8-17(25(6,7)18-12-10-9-11-13-18)15-21(14-16(2)22)19(23)24-20(3,4)5/h8-13H,14-15H2,1-7H3/b17-8-
InChIKeyRHNZKXVLHXQRGV-IUXPMGMMSA-N
XLogP3.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 53.91
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-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate
CID 11381145
Tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate
CID 44604030
Tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 75153095
tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate
CID 101251332
tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate
CID 135050531
Tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate
CID 162401375
tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate
CID 162401376
tert-butyl (4R)-4-[dimethyl(phenyl)silyl]-2-oxopyrrolidine-1-carboxylate
CID 178337045
Tert-butyl 3-(phenylselanylmethyl)-2,5-dihydropyrrole-1-carboxylate
CID 15136240
tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59628496
Tert-butyl 5-oxo-3-phenyl-4-(trimethylsilyl)-5,6-dihydropyridine-1(2H)-carboxylate
CID 71270268
benzene;tert-butyl N-ethyl-N-propylcarbamate;methane
CID 144505935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate (CID 10689976) is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate is C/C=C(/CN(CC(C)=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-oxopropyl)carbamate?
The InChIKey is RHNZKXVLHXQRGV-IUXPMGMMSA-N. The full InChI is InChI=1S/C20H31NO3Si/c1-8-17(25(6,7)18-12-10-9-11-13-18)15-21(14-16(2)22)19(23)24-20(3,4)5/h8-13H,14-15H2,1-7H3/b17-8-.
What are the key properties of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate?
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxopropyl)carbamate has a molecular weight of 361.56 g/mol, XLogP of 3.91, 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-oxopropyl)carbamate is sourced from PubChem (CID 10689976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).