ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate

C17H20N2O5 — CID 568026

IUPACethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)CN1CCOCC1
InChIInChI=1S/C17H20N2O5/c1-2-23-17(21)16-15(12-5-3-4-6-13(12)24-16)18-14(20)11-19-7-9-22-10-8-19/h3-6H,2,7-11H2,1H3,(H,18,20)
InChIKeyANSPUMORNITVIS-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.88
Rot. Bonds5

About ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate

ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate (PubChem CID 568026) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate
PubChem CID568026
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Nameethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)CN1CCOCC1
InChIInChI=1S/C17H20N2O5/c1-2-23-17(21)16-15(12-5-3-4-6-13(12)24-16)18-14(20)11-19-7-9-22-10-8-19/h3-6H,2,7-11H2,1H3,(H,18,20)
InChIKeyANSPUMORNITVIS-UHFFFAOYSA-N
XLogP1.88
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate
CID 1281686
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581
ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 1283491
ethyl 3-(3-phenylsulfanylpropanoylamino)-1-benzofuran-2-carboxylate
CID 4250174
ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate
CID 4642144
ethyl 3-[[4-[4-[(2-ethoxycarbonyl-1-benzofuran-3-yl)carbamoyl]phenoxy]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 5165811
ethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 7117067
ethyl 3-[4-(4-methylphenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxylate
CID 41273431
ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate
CID 5019604
ethyl 3-[[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]-1-benzofuran-2-carboxylate
CID 9131219
ethyl 2-methyl-6-[[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]carbamoyl]pyridine-3-carboxylate
CID 55600625
ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate
CID 110444216

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate (CID 568026) is ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1NC(=O)CN1CCOCC1.
What is the InChIKey of ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate?
The InChIKey is ANSPUMORNITVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-2-23-17(21)16-15(12-5-3-4-6-13(12)24-16)18-14(20)11-19-7-9-22-10-8-19/h3-6H,2,7-11H2,1H3,(H,18,20).
What are the key properties of ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate?
ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 568026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).