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

C21H34N2O4Si — CID 10787528

IUPACtert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate
SMILESC/C=C(/CN(CC(=O)N(C)OC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H34N2O4Si/c1-9-17(28(7,8)18-13-11-10-12-14-18)15-23(16-19(24)22(5)26-6)20(25)27-21(2,3)4/h9-14H,15-16H2,1-8H3/b17-9-
InChIKeyNDYNPDWLMJOTJW-MFOYZWKCSA-N
MW406.60 g/mol
LogP3.34
Rot. Bonds7

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

tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate (PubChem CID 10787528) has the molecular formula C21H34N2O4Si and a molecular weight of 406.60 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate
PubChem CID10787528
Molecular FormulaC21H34N2O4Si
Molecular Weight406.60 g/mol
Exact Mass406.23
IUPAC Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate
SMILESC/C=C(/CN(CC(=O)N(C)OC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H34N2O4Si/c1-9-17(28(7,8)18-13-11-10-12-14-18)15-23(16-19(24)22(5)26-6)20(25)27-21(2,3)4/h9-14H,15-16H2,1-8H3/b17-9-
InChIKeyNDYNPDWLMJOTJW-MFOYZWKCSA-N
XLogP3.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-[methoxy(methyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate (CID 10787528) is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate is C/C=C(/CN(CC(=O)N(C)OC)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-[methoxy(methyl)amino]-2-oxoethyl]carbamate?
The InChIKey is NDYNPDWLMJOTJW-MFOYZWKCSA-N. The full InChI is InChI=1S/C21H34N2O4Si/c1-9-17(28(7,8)18-13-11-10-12-14-18)15-23(16-19(24)22(5)26-6)20(25)27-21(2,3)4/h9-14H,15-16H2,1-8H3/b17-9-.
What are the key properties of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate has a molecular weight of 406.60 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 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-[methoxy(methyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 10787528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).