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

C16H16N2O6 — CID 8729510

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SMILESCCNC(=O)NC(=O)COC(=O)c1cc(=O)c2cc(C)ccc2o1
InChIInChI=1S/C16H16N2O6/c1-3-17-16(22)18-14(20)8-23-15(21)13-7-11(19)10-6-9(2)4-5-12(10)24-13/h4-7H,3,8H2,1-2H3,(H2,17,18,20,22)
InChIKeyUKUGFLZPODCTLO-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.10
Rot. Bonds4

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

[2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate (PubChem CID 8729510) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
PubChem CID8729510
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SMILESCCNC(=O)NC(=O)COC(=O)c1cc(=O)c2cc(C)ccc2o1
InChIInChI=1S/C16H16N2O6/c1-3-17-16(22)18-14(20)8-23-15(21)13-7-11(19)10-6-9(2)4-5-12(10)24-13/h4-7H,3,8H2,1-2H3,(H2,17,18,20,22)
InChIKeyUKUGFLZPODCTLO-UHFFFAOYSA-N
XLogP1.10
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 9381012
[2-(butylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729302
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8730505
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728811
[2-oxo-2-(4-propylphenyl)ethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729253
[2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728814
[2-(4-cyanoanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728970
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728915
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729103
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771432
[2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8876580

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate (CID 8729510) is [2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate is CCNC(=O)NC(=O)COC(=O)c1cc(=O)c2cc(C)ccc2o1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
The InChIKey is UKUGFLZPODCTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6/c1-3-17-16(22)18-14(20)8-23-15(21)13-7-11(19)10-6-9(2)4-5-12(10)24-13/h4-7H,3,8H2,1-2H3,(H2,17,18,20,22).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate has a molecular weight of 332.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate is sourced from PubChem (CID 8729510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).