[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

C18H17NO6 — CID 7551639

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCC(=O)NCc2ccco2)oc2ccccc12
InChIInChI=1S/C18H17NO6/c1-22-10-14-13-6-2-3-7-15(13)25-17(14)18(21)24-11-16(20)19-9-12-5-4-8-23-12/h2-8H,9-11H2,1H3,(H,19,20)
InChIKeyYTHNLKRWAMTLAY-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.65
Rot. Bonds7

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 7551639) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID7551639
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCC(=O)NCc2ccco2)oc2ccccc12
InChIInChI=1S/C18H17NO6/c1-22-10-14-13-6-2-3-7-15(13)25-17(14)18(21)24-11-16(20)19-9-12-5-4-8-23-12/h2-8H,9-11H2,1H3,(H,19,20)
InChIKeyYTHNLKRWAMTLAY-UHFFFAOYSA-N
XLogP2.65
TPSA90.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 7551639) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is COCc1c(C(=O)OCC(=O)NCc2ccco2)oc2ccccc12.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is YTHNLKRWAMTLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-22-10-14-13-6-2-3-7-15(13)25-17(14)18(21)24-11-16(20)19-9-12-5-4-8-23-12/h2-8H,9-11H2,1H3,(H,19,20).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7551639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).