[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate

C23H22N2O5 — CID 8993290

IUPAC[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
SMILESCc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H22N2O5/c1-14-6-4-7-15(2)20(14)25-21(26)16(3)30-23(28)17-9-11-18(12-10-17)24-22(27)19-8-5-13-29-19/h4-13,16H,1-3H3,(H,24,27)(H,25,26)/t16-/m1/s1
InChIKeyBIEBYJFEHNTCFM-MRXNPFEDSA-N
MW406.44 g/mol
LogP4.33
Rot. Bonds6

About [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate

[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 8993290) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
PubChem CID8993290
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
SMILESCc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H22N2O5/c1-14-6-4-7-15(2)20(14)25-21(26)16(3)30-23(28)17-9-11-18(12-10-17)24-22(27)19-8-5-13-29-19/h4-13,16H,1-3H3,(H,24,27)(H,25,26)/t16-/m1/s1
InChIKeyBIEBYJFEHNTCFM-MRXNPFEDSA-N
XLogP4.33
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8946163
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993265
[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8909413
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 40642570
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 46619586
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 55422783
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 46625347
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate
CID 2673600
N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 27760510
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2601027
[1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 55511185
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384720

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate (CID 8993290) is [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate is Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The InChIKey is BIEBYJFEHNTCFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-14-6-4-7-15(2)20(14)25-21(26)16(3)30-23(28)17-9-11-18(12-10-17)24-22(27)19-8-5-13-29-19/h4-13,16H,1-3H3,(H,24,27)(H,25,26)/t16-/m1/s1.
What are the key properties of [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate has a molecular weight of 406.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 8993290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).