2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate

C17H23NO4 — CID 3243439

IUPAC2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCCN(CC)CCOC(=O)c1cc2cc(COC)ccc2o1
InChIInChI=1S/C17H23NO4/c1-4-18(5-2)8-9-21-17(19)16-11-14-10-13(12-20-3)6-7-15(14)22-16/h6-7,10-11H,4-5,8-9,12H2,1-3H3
InChIKeyCTIZNTCXOHTWMF-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.08
Rot. Bonds8

About 2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate

2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 3243439) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID3243439
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCCN(CC)CCOC(=O)c1cc2cc(COC)ccc2o1
InChIInChI=1S/C17H23NO4/c1-4-18(5-2)8-9-21-17(19)16-11-14-10-13(12-20-3)6-7-15(14)22-16/h6-7,10-11H,4-5,8-9,12H2,1-3H3
InChIKeyCTIZNTCXOHTWMF-UHFFFAOYSA-N
XLogP3.08
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 3243439) is 2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate is CCN(CC)CCOC(=O)c1cc2cc(COC)ccc2o1.
What is the InChIKey of 2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is CTIZNTCXOHTWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-4-18(5-2)8-9-21-17(19)16-11-14-10-13(12-20-3)6-7-15(14)22-16/h6-7,10-11H,4-5,8-9,12H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate?
2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 5-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 3243439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).