[2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate

C15H17NO4 — CID 2666973

IUPAC[2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCCCNC(=O)COC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C15H17NO4/c1-3-8-16-13(17)9-19-15(18)14-10(2)11-6-4-5-7-12(11)20-14/h4-7H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyQNTDHYQIDFRBSE-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.42
Rot. Bonds5

About [2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate

[2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2666973) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
PubChem CID2666973
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name[2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCCCNC(=O)COC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C15H17NO4/c1-3-8-16-13(17)9-19-15(18)14-10(2)11-6-4-5-7-12(11)20-14/h4-7H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyQNTDHYQIDFRBSE-UHFFFAOYSA-N
XLogP2.42
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2410420
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 8952610
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2637047
[2-(butan-2-ylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 18074975
[2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653255
[2-(butylamino)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660980
[2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186892
butyl 3-methyl-1-benzofuran-2-carboxylate
CID 78915206
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7292194
[2-[4-(diethylamino)anilino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506325
[2-(cyclohexylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653287
[2-(3-acetamidoanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7239225

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate (CID 2666973) is [2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate is CCCNC(=O)COC(=O)c1oc2ccccc2c1C.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is QNTDHYQIDFRBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-8-16-13(17)9-19-15(18)14-10(2)11-6-4-5-7-12(11)20-14/h4-7H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate?
[2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2666973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).