[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate

C23H23NO5 — CID 7468795

IUPAC[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2ccc(COc3ccccc3)o2)c(C)c1
InChIInChI=1S/C23H23NO5/c1-15-11-16(2)22(17(3)12-15)24-21(25)14-28-23(26)20-10-9-19(29-20)13-27-18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,24,25)
InChIKeyIQKWDRQNCLYLJW-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.58
Rot. Bonds7

About [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate (PubChem CID 7468795) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
PubChem CID7468795
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2ccc(COc3ccccc3)o2)c(C)c1
InChIInChI=1S/C23H23NO5/c1-15-11-16(2)22(17(3)12-15)24-21(25)14-28-23(26)20-10-9-19(29-20)13-27-18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,24,25)
InChIKeyIQKWDRQNCLYLJW-UHFFFAOYSA-N
XLogP4.58
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468764
[2-(2-chloroanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468770
[2-(3-fluoroanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468702
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-bromofuran-2-carboxylate
CID 2589494
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 8511107
[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7892996
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate
CID 42980224
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 22829690
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893069
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-phenoxybutanoate
CID 7186295
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 11918315

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate (CID 7468795) is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate is Cc1cc(C)c(NC(=O)COC(=O)c2ccc(COc3ccccc3)o2)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is IQKWDRQNCLYLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-15-11-16(2)22(17(3)12-15)24-21(25)14-28-23(26)20-10-9-19(29-20)13-27-18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,24,25).
What are the key properties of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate?
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 7468795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).