[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate

C20H15NO7 — CID 2590779

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H15NO7/c1-26-15-8-4-3-7-13(15)19(24)21-18(23)11-27-20(25)17-10-14(22)12-6-2-5-9-16(12)28-17/h2-10H,11H2,1H3,(H,21,23,24)
InChIKeyFRXTXYKEZPZCGD-UHFFFAOYSA-N
MW381.34 g/mol
LogP1.91
Rot. Bonds5

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 2590779) has the molecular formula C20H15NO7 and a molecular weight of 381.34 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID2590779
Molecular FormulaC20H15NO7
Molecular Weight381.34 g/mol
Exact Mass381.08
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H15NO7/c1-26-15-8-4-3-7-13(15)19(24)21-18(23)11-27-20(25)17-10-14(22)12-6-2-5-9-16(12)28-17/h2-10H,11H2,1H3,(H,21,23,24)
InChIKeyFRXTXYKEZPZCGD-UHFFFAOYSA-N
XLogP1.91
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2635522
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590659
[2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2432321
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558836
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 3913150
[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080390
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-oxochromene-2-carboxylate
CID 2699773
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 7968395
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2624849
[2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate
CID 7968561
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-oxochromene-2-carboxylate
CID 2645963
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590864

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 2590779) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is COc1ccccc1C(=O)NC(=O)COC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is FRXTXYKEZPZCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO7/c1-26-15-8-4-3-7-13(15)19(24)21-18(23)11-27-20(25)17-10-14(22)12-6-2-5-9-16(12)28-17/h2-10H,11H2,1H3,(H,21,23,24).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 381.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 2590779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).