[3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate

C19H15NO5 — CID 19185797

IUPAC[3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate
SMILESCCNC(=O)c1cc2ccc(OC(=O)c3ccccc3)cc2oc1=O
InChIInChI=1S/C19H15NO5/c1-2-20-17(21)15-10-13-8-9-14(11-16(13)25-19(15)23)24-18(22)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,20,21)
InChIKeyOGAODQSKRWPJSL-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.76
Rot. Bonds4

About [3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate

[3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate (PubChem CID 19185797) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is [3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate.

Molecular Properties

Compound Name[3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate
PubChem CID19185797
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name[3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate
SMILESCCNC(=O)c1cc2ccc(OC(=O)c3ccccc3)cc2oc1=O
InChIInChI=1S/C19H15NO5/c1-2-20-17(21)15-10-13-8-9-14(11-16(13)25-19(15)23)24-18(22)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,20,21)
InChIKeyOGAODQSKRWPJSL-UHFFFAOYSA-N
XLogP2.76
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-3-(propylcarbamoyl)chromen-7-yl] benzoate
CID 19185805
[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] benzoate
CID 19185803
[3-(ethylcarbamoyl)-2-oxochromen-7-yl] (E)-3-phenylprop-2-enoate
CID 19187547
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 3-methoxybenzoate
CID 19185467
[3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 3-chlorobenzoate
CID 19185817
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 19186075
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 3-bromobenzoate
CID 19186126
[2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-tert-butylbenzoate
CID 19185967
[3-(ethylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 19186467
[3-(ethylcarbamoyl)-2-oxochromen-7-yl] 2-(3-bromophenoxy)acetate
CID 19187082
[3-(3-methoxypropylcarbamoyl)-2-oxochromen-7-yl] 2-methylbenzoate
CID 19185930
[3-(ethylcarbamoyl)-2-oxochromen-7-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 19186877

Frequently Asked Questions

What is the IUPAC name of [3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate?
The IUPAC name of [3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate (CID 19185797) is [3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate.
What is the SMILES notation for [3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate?
The canonical SMILES for [3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate is CCNC(=O)c1cc2ccc(OC(=O)c3ccccc3)cc2oc1=O.
What is the InChIKey of [3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate?
The InChIKey is OGAODQSKRWPJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-2-20-17(21)15-10-13-8-9-14(11-16(13)25-19(15)23)24-18(22)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,20,21).
What are the key properties of [3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate?
[3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate has a molecular weight of 337.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate is sourced from PubChem (CID 19185797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).