[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate

C24H24N2O5 — CID 2601027

IUPAC[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate
SMILESCc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)c2ccco2)c(C)c1
InChIInChI=1S/C24H24N2O5/c1-14-12-15(2)21(16(3)13-14)26-22(27)17(4)31-24(29)18-8-5-6-9-19(18)25-23(28)20-10-7-11-30-20/h5-13,17H,1-4H3,(H,25,28)(H,26,27)/t17-/m1/s1
InChIKeyGERUMXKWCTVVMP-QGZVFWFLSA-N
MW420.47 g/mol
LogP4.64
Rot. Bonds6

About [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate

[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate (PubChem CID 2601027) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate
PubChem CID2601027
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate
SMILESCc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)c2ccco2)c(C)c1
InChIInChI=1S/C24H24N2O5/c1-14-12-15(2)21(16(3)13-14)26-22(27)17(4)31-24(29)18-8-5-6-9-19(18)25-23(28)20-10-7-11-30-20/h5-13,17H,1-4H3,(H,25,28)(H,26,27)/t17-/m1/s1
InChIKeyGERUMXKWCTVVMP-QGZVFWFLSA-N
XLogP4.64
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate
CID 2673600
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2632058
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 5124674
[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-methylbenzoate
CID 5101564
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2601008
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 16533726
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2600932
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993290
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate
CID 16533705
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927263
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 7440342
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 42984081

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate (CID 2601027) is [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate is Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)c2ccco2)c(C)c1.
What is the InChIKey of [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate?
The InChIKey is GERUMXKWCTVVMP-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14-12-15(2)21(16(3)13-14)26-22(27)17(4)31-24(29)18-8-5-6-9-19(18)25-23(28)20-10-7-11-30-20/h5-13,17H,1-4H3,(H,25,28)(H,26,27)/t17-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate?
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate has a molecular weight of 420.47 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 2601027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).