tert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate

C16H23FN2O2 — CID 146336615

IUPACtert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate
SMILESCCN(C)/C(=C\NC(=O)OC(C)(C)C)c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-6-19(5)14(12-9-7-8-10-13(12)17)11-18-15(20)21-16(2,3)4/h7-11H,6H2,1-5H3,(H,18,20)/b14-11-
InChIKeyHCYZOFMYJUXLDF-KAMYIIQDSA-N
MW294.37 g/mol
LogP3.60
Rot. Bonds4

About tert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate

tert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate (PubChem CID 146336615) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate
PubChem CID146336615
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nametert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate
SMILESCCN(C)/C(=C\NC(=O)OC(C)(C)C)c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-6-19(5)14(12-9-7-8-10-13(12)17)11-18-15(20)21-16(2,3)4/h7-11H,6H2,1-5H3,(H,18,20)/b14-11-
InChIKeyHCYZOFMYJUXLDF-KAMYIIQDSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate (CID 146336615) is tert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate is CCN(C)/C(=C\NC(=O)OC(C)(C)C)c1ccccc1F.
What is the InChIKey of tert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate?
The InChIKey is HCYZOFMYJUXLDF-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-6-19(5)14(12-9-7-8-10-13(12)17)11-18-15(20)21-16(2,3)4/h7-11H,6H2,1-5H3,(H,18,20)/b14-11-.
What are the key properties of tert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate?
tert-butyl N-[(Z)-2-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate has a molecular weight of 294.37 g/mol, XLogP of 3.60, 4 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-[ethyl(methyl)amino]-2-(2-fluorophenyl)ethenyl]carbamate is sourced from PubChem (CID 146336615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).