[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate

C27H22N2O5 — CID 16533705

IUPAC[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate
SMILESCc1ccc(NC(=O)C(OC(=O)c2ccccc2NC(=O)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C27H22N2O5/c1-18-13-15-20(16-14-18)28-26(31)24(19-8-3-2-4-9-19)34-27(32)21-10-5-6-11-22(21)29-25(30)23-12-7-17-33-23/h2-17,24H,1H3,(H,28,31)(H,29,30)
InChIKeyPHQRAFWXFLVPCV-UHFFFAOYSA-N
MW454.48 g/mol
LogP5.38
Rot. Bonds7

About [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate

[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate (PubChem CID 16533705) has the molecular formula C27H22N2O5 and a molecular weight of 454.48 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate
PubChem CID16533705
Molecular FormulaC27H22N2O5
Molecular Weight454.48 g/mol
Exact Mass454.15
IUPAC Name[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate
SMILESCc1ccc(NC(=O)C(OC(=O)c2ccccc2NC(=O)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C27H22N2O5/c1-18-13-15-20(16-14-18)28-26(31)24(19-8-3-2-4-9-19)34-27(32)21-10-5-6-11-22(21)29-25(30)23-12-7-17-33-23/h2-17,24H,1H3,(H,28,31)(H,29,30)
InChIKeyPHQRAFWXFLVPCV-UHFFFAOYSA-N
XLogP5.38
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylanilino)-2-oxo-1-phenylethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 55510708
1-O-methyl 2-O-[2-(4-methylanilino)-2-oxo-1-phenylethyl] benzene-1,2-dicarboxylate
CID 56506522
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 5124674
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2601027
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 7486663
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2631518
N-[4-[(2,2-diphenylacetyl)amino]phenyl]furan-2-carboxamide
CID 2286846
[(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 1431793
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2600932
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2632058
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 46519679
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate (CID 16533705) is [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate is Cc1ccc(NC(=O)C(OC(=O)c2ccccc2NC(=O)c2ccco2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate?
The InChIKey is PHQRAFWXFLVPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O5/c1-18-13-15-20(16-14-18)28-26(31)24(19-8-3-2-4-9-19)34-27(32)21-10-5-6-11-22(21)29-25(30)23-12-7-17-33-23/h2-17,24H,1H3,(H,28,31)(H,29,30).
What are the key properties of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate?
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate has a molecular weight of 454.48 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 16533705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).