methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate

C20H17NO6 — CID 17419486

IUPACmethyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1c(C)cccc1NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C20H17NO6/c1-12-4-3-5-15(19(12)20(24)25-2)21-17(22)11-26-14-8-6-13-7-9-18(23)27-16(13)10-14/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyZKVGFRQXLSRSTG-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.91
Rot. Bonds5

About methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate

methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate (PubChem CID 17419486) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate
PubChem CID17419486
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Namemethyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1c(C)cccc1NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C20H17NO6/c1-12-4-3-5-15(19(12)20(24)25-2)21-17(22)11-26-14-8-6-13-7-9-18(23)27-16(13)10-14/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyZKVGFRQXLSRSTG-UHFFFAOYSA-N
XLogP2.91
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2610857
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 171911516
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55865739
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32607911
N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705141
methyl 3-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 46515110
N-(5-tert-butyl-2-hydroxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 27672834
N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705142
N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 56573237

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate (CID 17419486) is methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate is COC(=O)c1c(C)cccc1NC(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate?
The InChIKey is ZKVGFRQXLSRSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-12-4-3-5-15(19(12)20(24)25-2)21-17(22)11-26-14-8-6-13-7-9-18(23)27-16(13)10-14/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate?
methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate has a molecular weight of 367.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 17419486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).