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

C18H25NO4 — CID 3145406

IUPAC2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate
SMILESCCOCc1ccc2oc(C(=O)OCCN(CC)CC)cc2c1
InChIInChI=1S/C18H25NO4/c1-4-19(5-2)9-10-22-18(20)17-12-15-11-14(13-21-6-3)7-8-16(15)23-17/h7-8,11-12H,4-6,9-10,13H2,1-3H3
InChIKeyWBTKBNQZRCBGPI-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.47
Rot. Bonds9

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

2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 3145406) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID3145406
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate
SMILESCCOCc1ccc2oc(C(=O)OCCN(CC)CC)cc2c1
InChIInChI=1S/C18H25NO4/c1-4-19(5-2)9-10-22-18(20)17-12-15-11-14(13-21-6-3)7-8-16(15)23-17/h7-8,11-12H,4-6,9-10,13H2,1-3H3
InChIKeyWBTKBNQZRCBGPI-UHFFFAOYSA-N
XLogP3.47
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(ethoxymethyl)-1-benzofuran-2-carbonyl]oxybutyl-trimethylazanium
CID 3756799
5-(butoxymethyl)-1-benzofuran-2-carboxylic acid
CID 65293465
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
5-[[2-(diethylamino)ethylamino]methyl]-1-benzofuran-2-carboxylic acid
CID 103234103
ethyl 5-(diethoxyphosphorylmethyl)-1-benzofuran-2-carboxylate
CID 58572810
2-(diethylamino)ethyl 4-[3-[4-[2-(diethylamino)ethoxycarbonyl]phenyl]propyl]benzoate
CID 24835252
ethyl 5-acetamido-1-benzofuran-2-carboxylate
CID 155578691
tert-butyl 5-(bromomethyl)-1-benzofuran-2-carboxylate
CID 22102062
3-[5-(butoxymethyl)-1-benzofuran-2-carbonyl]oxybutyl-trimethylazanium iodide
CID 44655948
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride
CID 138399963
5-[[2-cyanoethyl(ethyl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 65295603

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate (CID 3145406) is 2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate is CCOCc1ccc2oc(C(=O)OCCN(CC)CC)cc2c1.
What is the InChIKey of 2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is WBTKBNQZRCBGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-4-19(5-2)9-10-22-18(20)17-12-15-11-14(13-21-6-3)7-8-16(15)23-17/h7-8,11-12H,4-6,9-10,13H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate?
2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 5-(ethoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 3145406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).