ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate

C20H33NO3Si — CID 13434279

IUPACethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate
SMILESCCOC(=O)N(CC/C=C\C[Si](C)(C)C)C(OCC)c1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-6-23-19(18-14-10-8-11-15-18)21(20(22)24-7-2)16-12-9-13-17-25(3,4)5/h8-11,13-15,19H,6-7,12,16-17H2,1-5H3/b13-9-
InChIKeyIFHAAYFWVYIAJY-LCYFTJDESA-N
MW363.57 g/mol
LogP5.46
Rot. Bonds10

About ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate

ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate (PubChem CID 13434279) has the molecular formula C20H33NO3Si and a molecular weight of 363.57 g/mol. Its IUPAC name is ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate.

Molecular Properties

Compound Nameethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate
PubChem CID13434279
Molecular FormulaC20H33NO3Si
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC Nameethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate
SMILESCCOC(=O)N(CC/C=C\C[Si](C)(C)C)C(OCC)c1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-6-23-19(18-14-10-8-11-15-18)21(20(22)24-7-2)16-12-9-13-17-25(3,4)5/h8-11,13-15,19H,6-7,12,16-17H2,1-5H3/b13-9-
InChIKeyIFHAAYFWVYIAJY-LCYFTJDESA-N
XLogP5.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.57
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate?
The IUPAC name of ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate (CID 13434279) is ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate.
What is the SMILES notation for ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate?
The canonical SMILES for ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate is CCOC(=O)N(CC/C=C\C[Si](C)(C)C)C(OCC)c1ccccc1.
What is the InChIKey of ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate?
The InChIKey is IFHAAYFWVYIAJY-LCYFTJDESA-N. The full InChI is InChI=1S/C20H33NO3Si/c1-6-23-19(18-14-10-8-11-15-18)21(20(22)24-7-2)16-12-9-13-17-25(3,4)5/h8-11,13-15,19H,6-7,12,16-17H2,1-5H3/b13-9-.
What are the key properties of ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate?
ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate has a molecular weight of 363.57 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate is sourced from PubChem (CID 13434279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).