[2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate

C24H17NO6 — CID 7968561

IUPAC[2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H17NO6/c26-19-14-22(31-20-12-6-4-10-17(19)20)24(28)29-15-23(27)25-18-11-5-7-13-21(18)30-16-8-2-1-3-9-16/h1-14H,15H2,(H,25,27)
InChIKeyVBDPEPIGLSKOLQ-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.38
Rot. Bonds6

About [2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate

[2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate (PubChem CID 7968561) has the molecular formula C24H17NO6 and a molecular weight of 415.40 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate
PubChem CID7968561
Molecular FormulaC24H17NO6
Molecular Weight415.40 g/mol
Exact Mass415.11
IUPAC Name[2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H17NO6/c26-19-14-22(31-20-12-6-4-10-17(19)20)24(28)29-15-23(27)25-18-11-5-7-13-21(18)30-16-8-2-1-3-9-16/h1-14H,15H2,(H,25,27)
InChIKeyVBDPEPIGLSKOLQ-UHFFFAOYSA-N
XLogP4.38
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590864
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate
CID 2590919
[2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2432321
[2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728814
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 3913150
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590779
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2379895
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2435637
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-oxochromene-2-carboxylate
CID 2645963
[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080390
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080377

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate (CID 7968561) is [2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate is O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate?
The InChIKey is VBDPEPIGLSKOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO6/c26-19-14-22(31-20-12-6-4-10-17(19)20)24(28)29-15-23(27)25-18-11-5-7-13-21(18)30-16-8-2-1-3-9-16/h1-14H,15H2,(H,25,27).
What are the key properties of [2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate?
[2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate has a molecular weight of 415.40 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 7968561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).