ethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate

C18H24N2O4 — CID 9433173

IUPACethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate
SMILESCCNC(=O)CN(CC)Cc1c(C(=O)OCC)oc2ccccc12
InChIInChI=1S/C18H24N2O4/c1-4-19-16(21)12-20(5-2)11-14-13-9-7-8-10-15(13)24-17(14)18(22)23-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,19,21)
InChIKeyIQDIZVCSBYPPKH-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.57
Rot. Bonds8

About ethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate

ethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate (PubChem CID 9433173) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate
PubChem CID9433173
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate
SMILESCCNC(=O)CN(CC)Cc1c(C(=O)OCC)oc2ccccc12
InChIInChI=1S/C18H24N2O4/c1-4-19-16(21)12-20(5-2)11-14-13-9-7-8-10-15(13)24-17(14)18(22)23-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,19,21)
InChIKeyIQDIZVCSBYPPKH-UHFFFAOYSA-N
XLogP2.57
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]methyl]-1-benzofuran-2-carboxylate
CID 8905653
ethyl 3-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1-benzofuran-2-carboxylate
CID 86910969
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
ethyl 3-[(5-methylfuran-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8531697
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551159
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 8948223
[2-(2-acetylhydrazinyl)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7960844
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 2648017
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 8600681
[2-(butylamino)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660980
ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560210

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate (CID 9433173) is ethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate is CCNC(=O)CN(CC)Cc1c(C(=O)OCC)oc2ccccc12.
What is the InChIKey of ethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate?
The InChIKey is IQDIZVCSBYPPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-19-16(21)12-20(5-2)11-14-13-9-7-8-10-15(13)24-17(14)18(22)23-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,19,21).
What are the key properties of ethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate?
ethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 9433173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).