ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate

C21H25NO6 — CID 5019604

IUPACethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)COC(=O)CCC1CCCC1
InChIInChI=1S/C21H25NO6/c1-2-26-21(25)20-19(15-9-5-6-10-16(15)28-20)22-17(23)13-27-18(24)12-11-14-7-3-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,22,23)
InChIKeyOVLMDYKJXYOYQG-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.06
Rot. Bonds8

About ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate

ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate (PubChem CID 5019604) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate
PubChem CID5019604
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Nameethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)COC(=O)CCC1CCCC1
InChIInChI=1S/C21H25NO6/c1-2-26-21(25)20-19(15-9-5-6-10-16(15)28-20)22-17(23)13-27-18(24)12-11-14-7-3-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,22,23)
InChIKeyOVLMDYKJXYOYQG-UHFFFAOYSA-N
XLogP4.06
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(3-phenylsulfanylpropanoylamino)-1-benzofuran-2-carboxylate
CID 4250174
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2637047
ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate
CID 568026
3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide
CID 7159624
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580413
[2-(cyclohexylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653287
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
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2521687
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1-benzofuran-2-carboxylate
CID 23884551
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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate (CID 5019604) is ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1NC(=O)COC(=O)CCC1CCCC1.
What is the InChIKey of ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate?
The InChIKey is OVLMDYKJXYOYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-2-26-21(25)20-19(15-9-5-6-10-16(15)28-20)22-17(23)13-27-18(24)12-11-14-7-3-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,22,23).
What are the key properties of ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate?
ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate has a molecular weight of 387.43 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 5019604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).