N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide

C13H15NO4 — CID 63094835

IUPACN-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
SMILESCCNC(=O)CCOc1ccc2c(c1)OCC2=O
InChIInChI=1S/C13H15NO4/c1-2-14-13(16)5-6-17-9-3-4-10-11(15)8-18-12(10)7-9/h3-4,7H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyIGMQAGQRABCVSH-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.17
Rot. Bonds5

About N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide

N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide (PubChem CID 63094835) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
PubChem CID63094835
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC NameN-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
SMILESCCNC(=O)CCOc1ccc2c(c1)OCC2=O
InChIInChI=1S/C13H15NO4/c1-2-14-13(16)5-6-17-9-3-4-10-11(15)8-18-12(10)7-9/h3-4,7H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyIGMQAGQRABCVSH-UHFFFAOYSA-N
XLogP1.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoic acid
CID 16776711
ethyl 3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoate
CID 43516984
6-(5-oxohexoxy)-1-benzofuran-3-one
CID 62033271
6-(2-oxopentoxy)-1-benzofuran-3-one
CID 62042964
2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide
CID 60772248
6-(3,3-dimethylbutoxy)-1-benzofuran-3-one
CID 55025234
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
6-pent-3-ynoxy-1-benzofuran-3-one
CID 104807818
6-(3-methyl-2-oxobutoxy)-1-benzofuran-3-one
CID 79395503
6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one
CID 66474358
6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one
CID 63097467
(3S)-3-[(3-oxo-1-benzofuran-6-yl)oxy]butanoic acid
CID 103547942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide?
The IUPAC name of N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide (CID 63094835) is N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide.
What is the SMILES notation for N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide?
The canonical SMILES for N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide is CCNC(=O)CCOc1ccc2c(c1)OCC2=O.
What is the InChIKey of N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide?
The InChIKey is IGMQAGQRABCVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-2-14-13(16)5-6-17-9-3-4-10-11(15)8-18-12(10)7-9/h3-4,7H,2,5-6,8H2,1H3,(H,14,16).
What are the key properties of N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide?
N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide has a molecular weight of 249.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide is sourced from PubChem (CID 63094835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).