[2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C14H14N2O6 — CID 2498260

IUPAC[2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)NC(N)=O)coc2c1
InChIInChI=1S/C14H14N2O6/c1-20-9-2-3-10-8(6-21-11(10)5-9)4-13(18)22-7-12(17)16-14(15)19/h2-3,5-6H,4,7H2,1H3,(H3,15,16,17,19)
InChIKeyWOZZPDWSCIEWST-UHFFFAOYSA-N
MW306.27 g/mol
LogP0.72
Rot. Bonds5

About [2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 2498260) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID2498260
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)NC(N)=O)coc2c1
InChIInChI=1S/C14H14N2O6/c1-20-9-2-3-10-8(6-21-11(10)5-9)4-13(18)22-7-12(17)16-14(15)19/h2-3,5-6H,4,7H2,1H3,(H3,15,16,17,19)
InChIKeyWOZZPDWSCIEWST-UHFFFAOYSA-N
XLogP0.72
TPSA120.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 2498260) is [2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCC(=O)NC(N)=O)coc2c1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is WOZZPDWSCIEWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6/c1-20-9-2-3-10-8(6-21-11(10)5-9)4-13(18)22-7-12(17)16-14(15)19/h2-3,5-6H,4,7H2,1H3,(H3,15,16,17,19).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 306.27 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 2498260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).