ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate

C19H15NO5 — CID 2332762

IUPACethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
InChIInChI=1S/C19H15NO5/c1-2-24-19(23)12-7-9-13(10-8-12)20-18(22)15-11-25-16-6-4-3-5-14(16)17(15)21/h3-11H,2H2,1H3,(H,20,22)
InChIKeyWGVAKTPDKPUKFA-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.22
Rot. Bonds4

About ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate

ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate (PubChem CID 2332762) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate
PubChem CID2332762
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Nameethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1
InChIInChI=1S/C19H15NO5/c1-2-24-19(23)12-7-9-13(10-8-12)20-18(22)15-11-25-16-6-4-3-5-14(16)17(15)21/h3-11H,2H2,1H3,(H,20,22)
InChIKeyWGVAKTPDKPUKFA-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide
CID 155566561
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate
CID 2406660
N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 155549718
ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate
CID 7267042
ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
CID 17045515
ethyl 4-[(7-methyl-2-oxochromene-4-carbonyl)amino]benzoate
CID 10247360
methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 7166895
ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate
CID 17310365
N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114310991
ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
CID 110695822

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate (CID 2332762) is ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2coc3ccccc3c2=O)cc1.
What is the InChIKey of ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate?
The InChIKey is WGVAKTPDKPUKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-2-24-19(23)12-7-9-13(10-8-12)20-18(22)15-11-25-16-6-4-3-5-14(16)17(15)21/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate?
ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate has a molecular weight of 337.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate is sourced from PubChem (CID 2332762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).