[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate

C23H21NO5 — CID 8909155

IUPAC[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate
SMILESCc1cc(C)c(C(=O)COC(=O)c2ccc(NC(=O)c3ccco3)cc2)c(C)c1
InChIInChI=1S/C23H21NO5/c1-14-11-15(2)21(16(3)12-14)19(25)13-29-23(27)17-6-8-18(9-7-17)24-22(26)20-5-4-10-28-20/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyWUQBQEVIJAJFQO-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.50
Rot. Bonds6

About [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate

[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 8909155) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate
PubChem CID8909155
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate
SMILESCc1cc(C)c(C(=O)COC(=O)c2ccc(NC(=O)c3ccco3)cc2)c(C)c1
InChIInChI=1S/C23H21NO5/c1-14-11-15(2)21(16(3)12-14)19(25)13-29-23(27)17-6-8-18(9-7-17)24-22(26)20-5-4-10-28-20/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyWUQBQEVIJAJFQO-UHFFFAOYSA-N
XLogP4.50
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-(furan-2-carbonylamino)benzoate
CID 27764342
[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909209
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
[2-(4-methylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 23937853
[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 27764111
(4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate
CID 7734391
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909190
2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate
CID 17296731
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4858769
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
[2-(4-ethylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448546
hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate (CID 8909155) is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate is Cc1cc(C)c(C(=O)COC(=O)c2ccc(NC(=O)c3ccco3)cc2)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate?
The InChIKey is WUQBQEVIJAJFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-14-11-15(2)21(16(3)12-14)19(25)13-29-23(27)17-6-8-18(9-7-17)24-22(26)20-5-4-10-28-20/h4-12H,13H2,1-3H3,(H,24,26).
What are the key properties of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate?
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate has a molecular weight of 391.42 g/mol, XLogP of 4.50, 6 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-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 8909155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).