[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate

C19H18N2O6 — CID 8525187

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCC(=O)NC(=O)NCc3ccco3)coc2c1
InChIInChI=1S/C19H18N2O6/c1-12-4-5-15-13(10-26-16(15)7-12)8-18(23)27-11-17(22)21-19(24)20-9-14-3-2-6-25-14/h2-7,10H,8-9,11H2,1H3,(H2,20,21,22,24)
InChIKeyORLCWCKUUWKKNV-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.45
Rot. Bonds6

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate (PubChem CID 8525187) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
PubChem CID8525187
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCC(=O)NC(=O)NCc3ccco3)coc2c1
InChIInChI=1S/C19H18N2O6/c1-12-4-5-15-13(10-26-16(15)7-12)8-18(23)27-11-17(22)21-19(24)20-9-14-3-2-6-25-14/h2-7,10H,8-9,11H2,1H3,(H2,20,21,22,24)
InChIKeyORLCWCKUUWKKNV-UHFFFAOYSA-N
XLogP2.45
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872108
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 24686754
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2600442
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525277
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872035
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 7832941
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525179
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590459
methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate
CID 8845905
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate
CID 2998047
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193785

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate (CID 8525187) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate is Cc1ccc2c(CC(=O)OCC(=O)NC(=O)NCc3ccco3)coc2c1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The InChIKey is ORLCWCKUUWKKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-12-4-5-15-13(10-26-16(15)7-12)8-18(23)27-11-17(22)21-19(24)20-9-14-3-2-6-25-14/h2-7,10H,8-9,11H2,1H3,(H2,20,21,22,24).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate has a molecular weight of 370.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8525187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).