[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate

C13H12N2O6 — CID 2631632

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NC(=O)NCc1ccco1
InChIInChI=1S/C13H12N2O6/c16-11(8-21-12(17)10-4-2-6-20-10)15-13(18)14-7-9-3-1-5-19-9/h1-6H,7-8H2,(H2,14,15,16,18)
InChIKeyHGXWNSARLRGALX-UHFFFAOYSA-N
MW292.25 g/mol
LogP1.06
Rot. Bonds5

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate (PubChem CID 2631632) has the molecular formula C13H12N2O6 and a molecular weight of 292.25 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
PubChem CID2631632
Molecular FormulaC13H12N2O6
Molecular Weight292.25 g/mol
Exact Mass292.07
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NC(=O)NCc1ccco1
InChIInChI=1S/C13H12N2O6/c16-11(8-21-12(17)10-4-2-6-20-10)15-13(18)14-7-9-3-1-5-19-9/h1-6H,7-8H2,(H2,14,15,16,18)
InChIKeyHGXWNSARLRGALX-UHFFFAOYSA-N
XLogP1.06
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193785
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2488908
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413781
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504373
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631789
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
CID 7949805
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2554865
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 2485105
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
CID 16526023
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55926961
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837445

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate (CID 2631632) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)NC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is HGXWNSARLRGALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O6/c16-11(8-21-12(17)10-4-2-6-20-10)15-13(18)14-7-9-3-1-5-19-9/h1-6H,7-8H2,(H2,14,15,16,18).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 292.25 g/mol, XLogP of 1.06, 5 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] furan-2-carboxylate is sourced from PubChem (CID 2631632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).