[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate

C20H19NO4 — CID 7193975

IUPAC[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate
SMILESCC(C)c1ccc(NC(=O)COC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H19NO4/c1-13(2)14-7-9-16(10-8-14)21-19(22)12-24-20(23)18-11-15-5-3-4-6-17(15)25-18/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyUZRUMVKAAZGAPC-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.35
Rot. Bonds5

About [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate (PubChem CID 7193975) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate
PubChem CID7193975
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate
SMILESCC(C)c1ccc(NC(=O)COC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H19NO4/c1-13(2)14-7-9-16(10-8-14)21-19(22)12-24-20(23)18-11-15-5-3-4-6-17(15)25-18/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyUZRUMVKAAZGAPC-UHFFFAOYSA-N
XLogP4.35
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194046
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193712
[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16503047
[2-(4-nitroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194105
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1-benzofuran-2-carboxylate
CID 16502963
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2435637
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194086
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194054
[2-(3-methylsulfanylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7284197
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 42978396
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 7766908
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate (CID 7193975) is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate is CC(C)c1ccc(NC(=O)COC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate?
The InChIKey is UZRUMVKAAZGAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13(2)14-7-9-16(10-8-14)21-19(22)12-24-20(23)18-11-15-5-3-4-6-17(15)25-18/h3-11,13H,12H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate?
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7193975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).