N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide

C13H15NO4 — CID 63094838

IUPACN,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
SMILESCC(Oc1ccc2c(c1)OCC2=O)C(=O)N(C)C
InChIInChI=1S/C13H15NO4/c1-8(13(16)14(2)3)18-9-4-5-10-11(15)7-17-12(10)6-9/h4-6,8H,7H2,1-3H3
InChIKeyIVSMUAFFIAAEGH-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.12
Rot. Bonds3

About N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide

N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide (PubChem CID 63094838) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
PubChem CID63094838
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC NameN,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
SMILESCC(Oc1ccc2c(c1)OCC2=O)C(=O)N(C)C
InChIInChI=1S/C13H15NO4/c1-8(13(16)14(2)3)18-9-4-5-10-11(15)7-17-12(10)6-9/h4-6,8H,7H2,1-3H3
InChIKeyIVSMUAFFIAAEGH-UHFFFAOYSA-N
XLogP1.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-oxobutan-2-yloxy)-1-benzofuran-3-one
CID 62033452
N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63095016
(3S)-3-[(3-oxo-1-benzofuran-6-yl)oxy]butanoic acid
CID 103547942
6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one
CID 63095193
6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one
CID 82507298
2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide
CID 63095013
6-(3-methyl-2-oxobutoxy)-1-benzofuran-3-one
CID 79395503
6-methoxy-1-benzofuran-3-one
CID 585368
2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide
CID 60772248
ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate
CID 79357419
3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoic acid
CID 16776711
2-[(3-oxo-1-benzofuran-6-yl)oxy]butanenitrile
CID 63097294

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide?
The IUPAC name of N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide (CID 63094838) is N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide?
The canonical SMILES for N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide is CC(Oc1ccc2c(c1)OCC2=O)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide?
The InChIKey is IVSMUAFFIAAEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-8(13(16)14(2)3)18-9-4-5-10-11(15)7-17-12(10)6-9/h4-6,8H,7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide?
N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide has a molecular weight of 249.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide is sourced from PubChem (CID 63094838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).