[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate

C23H23NO6 — CID 19187258

IUPAC[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate
SMILESCCCNC(=O)c1cc2ccc(OC(=O)COc3ccccc3CC)cc2oc1=O
InChIInChI=1S/C23H23NO6/c1-3-11-24-22(26)18-12-16-9-10-17(13-20(16)30-23(18)27)29-21(25)14-28-19-8-6-5-7-15(19)4-2/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,24,26)
InChIKeyQWGLSEUJOUURON-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.48
Rot. Bonds8

About [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate

[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate (PubChem CID 19187258) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate
PubChem CID19187258
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate
SMILESCCCNC(=O)c1cc2ccc(OC(=O)COc3ccccc3CC)cc2oc1=O
InChIInChI=1S/C23H23NO6/c1-3-11-24-22(26)18-12-16-9-10-17(13-20(16)30-23(18)27)29-21(25)14-28-19-8-6-5-7-15(19)4-2/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,24,26)
InChIKeyQWGLSEUJOUURON-UHFFFAOYSA-N
XLogP3.48
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate
CID 19187256
[3-(butylcarbamoyl)-2-oxochromen-7-yl] 2-(2-bromophenoxy)acetate
CID 19180582
[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-bromo-4-methylphenoxy)acetate
CID 19187027
[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(3-propan-2-ylphenoxy)acetate
CID 19187271
[3-(butylcarbamoyl)-2-oxochromen-7-yl] 2-(4-methoxyphenoxy)acetate
CID 19180549
[2-oxo-3-(propylcarbamoyl)chromen-7-yl] benzoate
CID 19185805
[2-oxo-3-(2-phenylethylcarbamoyl)chromen-7-yl] 2-(3-ethylphenoxy)acetate
CID 19187275
[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(4-ethoxyphenoxy)acetate
CID 19187537
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 19185552
[3-(butylcarbamoyl)-2-oxochromen-7-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 19180581
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(4-ethoxyphenoxy)acetate
CID 19185577
(3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate
CID 19186836

Frequently Asked Questions

What is the IUPAC name of [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate?
The IUPAC name of [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate (CID 19187258) is [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate.
What is the SMILES notation for [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate?
The canonical SMILES for [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate is CCCNC(=O)c1cc2ccc(OC(=O)COc3ccccc3CC)cc2oc1=O.
What is the InChIKey of [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate?
The InChIKey is QWGLSEUJOUURON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-3-11-24-22(26)18-12-16-9-10-17(13-20(16)30-23(18)27)29-21(25)14-28-19-8-6-5-7-15(19)4-2/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,24,26).
What are the key properties of [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate?
[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate has a molecular weight of 409.44 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate is sourced from PubChem (CID 19187258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).