3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide

C13H15NO3 — CID 860482

IUPAC3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C13H15NO3/c1-8(2)5-12(15)14-10-3-4-11-9(6-10)7-17-13(11)16/h3-4,6,8H,5,7H2,1-2H3,(H,14,15)
InChIKeyYCSRWNJSFKMWJL-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.34
Rot. Bonds3

About 3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide

3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide (PubChem CID 860482) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide
PubChem CID860482
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C13H15NO3/c1-8(2)5-12(15)14-10-3-4-11-9(6-10)7-17-13(11)16/h3-4,6,8H,5,7H2,1-2H3,(H,14,15)
InChIKeyYCSRWNJSFKMWJL-UHFFFAOYSA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
(2S)-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 71754998
5-(3-propan-2-ylanilino)-3H-2-benzofuran-1-one
CID 162631522
3H-2-benzofuran-1-one;5-methyl-3-oxohexanoic acid
CID 175106026
(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide
CID 713159
(Z)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide
CID 22299082
3-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-oxo-4H-isochromene-3-carboxamide
CID 134039899
2-[(3-methylphenyl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
CID 172759129
2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
CID 71826016
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide?
The IUPAC name of 3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide (CID 860482) is 3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide?
The canonical SMILES for 3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide is CC(C)CC(=O)Nc1ccc2c(c1)COC2=O.
What is the InChIKey of 3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide?
The InChIKey is YCSRWNJSFKMWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(2)5-12(15)14-10-3-4-11-9(6-10)7-17-13(11)16/h3-4,6,8H,5,7H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide?
3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide has a molecular weight of 233.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide is sourced from PubChem (CID 860482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).