ethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate

C17H23NO4 — CID 623914

IUPACethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(CN(CC)CC)oc2ccc(OC)cc12
InChIInChI=1S/C17H23NO4/c1-5-18(6-2)11-15-16(17(19)21-7-3)13-10-12(20-4)8-9-14(13)22-15/h8-10H,5-7,11H2,1-4H3
InChIKeyJVKHTMOGDVLAFZ-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.46
Rot. Bonds7

About ethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate

ethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate (PubChem CID 623914) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate
PubChem CID623914
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(CN(CC)CC)oc2ccc(OC)cc12
InChIInChI=1S/C17H23NO4/c1-5-18(6-2)11-15-16(17(19)21-7-3)13-10-12(20-4)8-9-14(13)22-15/h8-10H,5-7,11H2,1-4H3
InChIKeyJVKHTMOGDVLAFZ-UHFFFAOYSA-N
XLogP3.46
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate (CID 623914) is ethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate is CCOC(=O)c1c(CN(CC)CC)oc2ccc(OC)cc12.
What is the InChIKey of ethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate?
The InChIKey is JVKHTMOGDVLAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-5-18(6-2)11-15-16(17(19)21-7-3)13-10-12(20-4)8-9-14(13)22-15/h8-10H,5-7,11H2,1-4H3.
What are the key properties of ethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate?
ethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylaminomethyl)-5-methoxy-1-benzofuran-3-carboxylate is sourced from PubChem (CID 623914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).