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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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).