[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate

C17H18FNO4 — CID 3220314

IUPAC[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCC(C)(C)NC(=O)C(OC(=O)c1ccco1)c1ccccc1F
InChIInChI=1S/C17H18FNO4/c1-17(2,3)19-15(20)14(11-7-4-5-8-12(11)18)23-16(21)13-9-6-10-22-13/h4-10,14H,1-3H3,(H,19,20)
InChIKeyNRBUVUCBIJFLDN-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.23
Rot. Bonds4

About [2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate

[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate (PubChem CID 3220314) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is [2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
PubChem CID3220314
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCC(C)(C)NC(=O)C(OC(=O)c1ccco1)c1ccccc1F
InChIInChI=1S/C17H18FNO4/c1-17(2,3)19-15(20)14(11-7-4-5-8-12(11)18)23-16(21)13-9-6-10-22-13/h4-10,14H,1-3H3,(H,19,20)
InChIKeyNRBUVUCBIJFLDN-UHFFFAOYSA-N
XLogP3.23
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate (CID 3220314) is [2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate is CC(C)(C)NC(=O)C(OC(=O)c1ccco1)c1ccccc1F.
What is the InChIKey of [2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is NRBUVUCBIJFLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-17(2,3)19-15(20)14(11-7-4-5-8-12(11)18)23-16(21)13-9-6-10-22-13/h4-10,14H,1-3H3,(H,19,20).
What are the key properties of [2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 319.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 3220314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).