[2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

C19H23NO5 — CID 2563328

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOc1ccc2oc(C(=O)OCC(=O)NC3CCCC3)c(C)c2c1
InChIInChI=1S/C19H23NO5/c1-3-23-14-8-9-16-15(10-14)12(2)18(25-16)19(22)24-11-17(21)20-13-6-4-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,20,21)
InChIKeyBYYXYCSHLZNWGD-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.36
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2563328) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID2563328
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOc1ccc2oc(C(=O)OCC(=O)NC3CCCC3)c(C)c2c1
InChIInChI=1S/C19H23NO5/c1-3-23-14-8-9-16-15(10-14)12(2)18(25-16)19(22)24-11-17(21)20-13-6-4-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,20,21)
InChIKeyBYYXYCSHLZNWGD-UHFFFAOYSA-N
XLogP3.36
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (CID 2563328) is [2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate is CCOc1ccc2oc(C(=O)OCC(=O)NC3CCCC3)c(C)c2c1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is BYYXYCSHLZNWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-3-23-14-8-9-16-15(10-14)12(2)18(25-16)19(22)24-11-17(21)20-13-6-4-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,20,21).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2563328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).