[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate

C14H14N2O5 — CID 8743856

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C14H14N2O5/c1-15-14(19)16-12(17)8-21-13(18)10-6-9-4-2-3-5-11(9)20-7-10/h2-6H,7-8H2,1H3,(H2,15,16,17,19)
InChIKeyPJNXMTUZRNLVAY-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.46
Rot. Bonds3

About [2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate

[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate (PubChem CID 8743856) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
PubChem CID8743856
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C14H14N2O5/c1-15-14(19)16-12(17)8-21-13(18)10-6-9-4-2-3-5-11(9)20-7-10/h2-6H,7-8H2,1H3,(H2,15,16,17,19)
InChIKeyPJNXMTUZRNLVAY-UHFFFAOYSA-N
XLogP0.46
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
[2-oxo-2-(pentan-3-ylamino)ethyl] 2H-chromene-3-carboxylate
CID 8742976
[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741779
[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
[2-(3,5-dichloroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741886
[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742118
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741829
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2H-chromene-3-carboxylate
CID 8748961
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate
CID 8748008
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 18158022
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8747153
[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2H-chromene-3-carboxylate
CID 8821553

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate (CID 8743856) is [2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate is CNC(=O)NC(=O)COC(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The InChIKey is PJNXMTUZRNLVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-15-14(19)16-12(17)8-21-13(18)10-6-9-4-2-3-5-11(9)20-7-10/h2-6H,7-8H2,1H3,(H2,15,16,17,19).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate has a molecular weight of 290.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8743856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).