[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate

C23H22N2O6 — CID 42963745

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
SMILESCOc1ccc(C)cc1NC(=O)C(OC(=O)CNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C23H22N2O6/c1-15-10-11-18(29-2)17(13-15)25-23(28)21(16-7-4-3-5-8-16)31-20(26)14-24-22(27)19-9-6-12-30-19/h3-13,21H,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWDUSJNIKKCOQHM-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.25
Rot. Bonds8

About [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 42963745) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID42963745
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
SMILESCOc1ccc(C)cc1NC(=O)C(OC(=O)CNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C23H22N2O6/c1-15-10-11-18(29-2)17(13-15)25-23(28)21(16-7-4-3-5-8-16)31-20(26)14-24-22(27)19-9-6-12-30-19/h3-13,21H,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWDUSJNIKKCOQHM-UHFFFAOYSA-N
XLogP3.25
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
CID 46791499
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 4783200
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate
CID 7950653
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate
CID 7765424
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 7486663
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853368
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722308
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methyl-2-phenylpropanoate
CID 7984559
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063477
cis-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8019572

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate (CID 42963745) is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate is COc1ccc(C)cc1NC(=O)C(OC(=O)CNC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is WDUSJNIKKCOQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-15-10-11-18(29-2)17(13-15)25-23(28)21(16-7-4-3-5-8-16)31-20(26)14-24-22(27)19-9-6-12-30-19/h3-13,21H,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate?
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 422.44 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 42963745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).