[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate

C18H22N2O6 — CID 8887243

IUPAC[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESCCNC(=O)CN(CC)C(=O)COC(=O)Cc1coc2cc(O)ccc12
InChIInChI=1S/C18H22N2O6/c1-3-19-16(22)9-20(4-2)17(23)11-26-18(24)7-12-10-25-15-8-13(21)5-6-14(12)15/h5-6,8,10,21H,3-4,7,9,11H2,1-2H3,(H,19,22)
InChIKeyBENFSLKBZNGHCH-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.21
Rot. Bonds8

About [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate

[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 8887243) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID8887243
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESCCNC(=O)CN(CC)C(=O)COC(=O)Cc1coc2cc(O)ccc12
InChIInChI=1S/C18H22N2O6/c1-3-19-16(22)9-20(4-2)17(23)11-26-18(24)7-12-10-25-15-8-13(21)5-6-14(12)15/h5-6,8,10,21H,3-4,7,9,11H2,1-2H3,(H,19,22)
InChIKeyBENFSLKBZNGHCH-UHFFFAOYSA-N
XLogP1.21
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887234
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887166
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415531
(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807183
[2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807020
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 9342519
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807175
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807088
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414762
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415387
[2-(4-fluoroanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415410
methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate
CID 7807198

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate (CID 8887243) is [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate is CCNC(=O)CN(CC)C(=O)COC(=O)Cc1coc2cc(O)ccc12.
What is the InChIKey of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is BENFSLKBZNGHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-3-19-16(22)9-20(4-2)17(23)11-26-18(24)7-12-10-25-15-8-13(21)5-6-14(12)15/h5-6,8,10,21H,3-4,7,9,11H2,1-2H3,(H,19,22).
What are the key properties of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 362.38 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8887243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).