[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate

C21H17NO5 — CID 40642570

IUPAC[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
SMILESC[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C21H17NO5/c1-14(19(23)15-6-3-2-4-7-15)27-21(25)16-9-11-17(12-10-16)22-20(24)18-8-5-13-26-18/h2-14H,1H3,(H,22,24)/t14-/m1/s1
InChIKeyPEZSBIGUBIZKCI-CQSZACIVSA-N
MW363.37 g/mol
LogP3.96
Rot. Bonds6

About [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate

[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 40642570) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
PubChem CID40642570
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
SMILESC[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C21H17NO5/c1-14(19(23)15-6-3-2-4-7-15)27-21(25)16-9-11-17(12-10-16)22-20(24)18-8-5-13-26-18/h2-14H,1H3,(H,22,24)/t14-/m1/s1
InChIKeyPEZSBIGUBIZKCI-CQSZACIVSA-N
XLogP3.96
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8909413
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8909697
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993265
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993290
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 46625347
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 7734307
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2-phenylacetyl)amino]benzoate
CID 1342655
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8946163
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 55422783
1-phenylethyl 3-(furan-2-carbonylamino)benzoate
CID 78793343
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate (CID 40642570) is [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate is C[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The InChIKey is PEZSBIGUBIZKCI-CQSZACIVSA-N. The full InChI is InChI=1S/C21H17NO5/c1-14(19(23)15-6-3-2-4-7-15)27-21(25)16-9-11-17(12-10-16)22-20(24)18-8-5-13-26-18/h2-14H,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate?
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate has a molecular weight of 363.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 40642570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).