[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate

C17H18N2O5 — CID 7193776

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)NC(=O)NC1CCCC1
InChIInChI=1S/C17H18N2O5/c20-15(19-17(22)18-12-6-2-3-7-12)10-23-16(21)14-9-11-5-1-4-8-13(11)24-14/h1,4-5,8-9,12H,2-3,6-7,10H2,(H2,18,19,20,22)
InChIKeyQSESCUUHXZTSCB-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.36
Rot. Bonds4

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate (PubChem CID 7193776) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
PubChem CID7193776
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)NC(=O)NC1CCCC1
InChIInChI=1S/C17H18N2O5/c20-15(19-17(22)18-12-6-2-3-7-12)10-23-16(21)14-9-11-5-1-4-8-13(11)24-14/h1,4-5,8-9,12H,2-3,6-7,10H2,(H2,18,19,20,22)
InChIKeyQSESCUUHXZTSCB-UHFFFAOYSA-N
XLogP2.36
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3903369
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194099
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 7968395
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193729
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7722844
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7890943
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193785
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149210
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193555
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749935
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 7797585

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate (CID 7193776) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate is O=C(COC(=O)c1cc2ccccc2o1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The InChIKey is QSESCUUHXZTSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-15(19-17(22)18-12-6-2-3-7-12)10-23-16(21)14-9-11-5-1-4-8-13(11)24-14/h1,4-5,8-9,12H,2-3,6-7,10H2,(H2,18,19,20,22).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7193776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).