[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate

C23H23NO7 — CID 19187256

IUPAC[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate
SMILESCCc1ccccc1OCC(=O)Oc1ccc2cc(C(=O)NCCOC)c(=O)oc2c1
InChIInChI=1S/C23H23NO7/c1-3-15-6-4-5-7-19(15)29-14-21(25)30-17-9-8-16-12-18(22(26)24-10-11-28-2)23(27)31-20(16)13-17/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,24,26)
InChIKeyCQVUFMWAVQRULR-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.72
Rot. Bonds9

About [3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate

[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate (PubChem CID 19187256) has the molecular formula C23H23NO7 and a molecular weight of 425.44 g/mol. Its IUPAC name is [3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate.

Molecular Properties

Compound Name[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate
PubChem CID19187256
Molecular FormulaC23H23NO7
Molecular Weight425.44 g/mol
Exact Mass425.15
IUPAC Name[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate
SMILESCCc1ccccc1OCC(=O)Oc1ccc2cc(C(=O)NCCOC)c(=O)oc2c1
InChIInChI=1S/C23H23NO7/c1-3-15-6-4-5-7-19(15)29-14-21(25)30-17-9-8-16-12-18(22(26)24-10-11-28-2)23(27)31-20(16)13-17/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,24,26)
InChIKeyCQVUFMWAVQRULR-UHFFFAOYSA-N
XLogP2.72
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate
CID 19187258
[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(4-ethoxyphenoxy)acetate
CID 19187537
[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 19186766
[3-(butylcarbamoyl)-2-oxochromen-7-yl] 2-(2-bromophenoxy)acetate
CID 19180582
[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] benzoate
CID 19185803
[3-(butylcarbamoyl)-2-oxochromen-7-yl] 2-(4-methoxyphenoxy)acetate
CID 19180549
[3-(3-methoxypropylcarbamoyl)-2-oxochromen-7-yl] 2-(2-bromo-4-methylphenoxy)acetate
CID 19187026
[2-oxo-3-(2-phenylethylcarbamoyl)chromen-7-yl] 2-(3-ethylphenoxy)acetate
CID 19187275
[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-bromo-4-methylphenoxy)acetate
CID 19187027
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 19185552
[3-(ethylcarbamoyl)-2-oxochromen-7-yl] 2-(3-bromophenoxy)acetate
CID 19187082
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(4-ethoxyphenoxy)acetate
CID 19185577

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate?
The IUPAC name of [3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate (CID 19187256) is [3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate.
What is the SMILES notation for [3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate?
The canonical SMILES for [3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate is CCc1ccccc1OCC(=O)Oc1ccc2cc(C(=O)NCCOC)c(=O)oc2c1.
What is the InChIKey of [3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate?
The InChIKey is CQVUFMWAVQRULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO7/c1-3-15-6-4-5-7-19(15)29-14-21(25)30-17-9-8-16-12-18(22(26)24-10-11-28-2)23(27)31-20(16)13-17/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,24,26).
What are the key properties of [3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate?
[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate has a molecular weight of 425.44 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate is sourced from PubChem (CID 19187256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).