[2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate

C21H19NO6 — CID 8728814

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1cc(=O)c2cc(C)ccc2o1
InChIInChI=1S/C21H19NO6/c1-3-26-18-7-5-4-6-15(18)22-20(24)12-27-21(25)19-11-16(23)14-10-13(2)8-9-17(14)28-19/h4-11H,3,12H2,1-2H3,(H,22,24)
InChIKeyPEZMSYWRYCUQGA-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.30
Rot. Bonds6

About [2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate

[2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate (PubChem CID 8728814) has the molecular formula C21H19NO6 and a molecular weight of 381.38 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
PubChem CID8728814
Molecular FormulaC21H19NO6
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1cc(=O)c2cc(C)ccc2o1
InChIInChI=1S/C21H19NO6/c1-3-26-18-7-5-4-6-15(18)22-20(24)12-27-21(25)19-11-16(23)14-10-13(2)8-9-17(14)28-19/h4-11H,3,12H2,1-2H3,(H,22,24)
InChIKeyPEZMSYWRYCUQGA-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

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Related Compounds

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728915
[2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8876580
[2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate
CID 7968561
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590864
[2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729510
[2-(butylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729302
[2-(4-cyanoanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728970
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924558
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997830
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 8730127
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
N-(2-ethoxyphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180282

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate (CID 8728814) is [2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate is CCOc1ccccc1NC(=O)COC(=O)c1cc(=O)c2cc(C)ccc2o1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
The InChIKey is PEZMSYWRYCUQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO6/c1-3-26-18-7-5-4-6-15(18)22-20(24)12-27-21(25)19-11-16(23)14-10-13(2)8-9-17(14)28-19/h4-11H,3,12H2,1-2H3,(H,22,24).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
[2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate 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 [2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate is sourced from PubChem (CID 8728814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).