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

C17H19NO5 — CID 2553943

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOc1ccc2oc(C(=O)OCC(=O)NC3CC3)c(C)c2c1
InChIInChI=1S/C17H19NO5/c1-3-21-12-6-7-14-13(8-12)10(2)16(23-14)17(20)22-9-15(19)18-11-4-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyCIPCOPLPRQHSES-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.58
Rot. Bonds6

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

[2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2553943) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID2553943
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOc1ccc2oc(C(=O)OCC(=O)NC3CC3)c(C)c2c1
InChIInChI=1S/C17H19NO5/c1-3-21-12-6-7-14-13(8-12)10(2)16(23-14)17(20)22-9-15(19)18-11-4-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyCIPCOPLPRQHSES-UHFFFAOYSA-N
XLogP2.58
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (CID 2553943) is [2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate is CCOc1ccc2oc(C(=O)OCC(=O)NC3CC3)c(C)c2c1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is CIPCOPLPRQHSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-3-21-12-6-7-14-13(8-12)10(2)16(23-14)17(20)22-9-15(19)18-11-4-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,18,19).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2553943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).