ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate

C21H19NO6 — CID 1329212

IUPACethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc3oc(=O)cc(C)c3c2)cc1
InChIInChI=1S/C21H19NO6/c1-3-26-21(25)14-4-6-15(7-5-14)22-19(23)12-27-16-8-9-18-17(11-16)13(2)10-20(24)28-18/h4-11H,3,12H2,1-2H3,(H,22,23)
InChIKeyNXWZGCLUYSPMNZ-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.30
Rot. Bonds6

About ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate

ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate (PubChem CID 1329212) has the molecular formula C21H19NO6 and a molecular weight of 381.38 g/mol. Its IUPAC name is ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate
PubChem CID1329212
Molecular FormulaC21H19NO6
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC Nameethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc3oc(=O)cc(C)c3c2)cc1
InChIInChI=1S/C21H19NO6/c1-3-26-21(25)14-4-6-15(7-5-14)22-19(23)12-27-16-8-9-18-17(11-16)13(2)10-20(24)28-18/h4-11H,3,12H2,1-2H3,(H,22,23)
InChIKeyNXWZGCLUYSPMNZ-UHFFFAOYSA-N
XLogP3.30
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]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

N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 906216
N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 930250
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
[2-(4-tert-butylanilino)-2-oxoethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 2377046
ethyl 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]benzoate
CID 3337210
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
CID 66489078
ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 26636676
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate (CID 1329212) is ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COc2ccc3oc(=O)cc(C)c3c2)cc1.
What is the InChIKey of ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate?
The InChIKey is NXWZGCLUYSPMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO6/c1-3-26-21(25)14-4-6-15(7-5-14)22-19(23)12-27-16-8-9-18-17(11-16)13(2)10-20(24)28-18/h4-11H,3,12H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate?
ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate has a molecular weight of 381.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 1329212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).