2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide

C14H19NO3 — CID 62901438

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide
SMILESCCC(Oc1cccc2c1OC(C)(C)C2)C(N)=O
InChIInChI=1S/C14H19NO3/c1-4-10(13(15)16)17-11-7-5-6-9-8-14(2,3)18-12(9)11/h5-7,10H,4,8H2,1-3H3,(H2,15,16)
InChIKeyIJQXEAVILZRDQO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.04
Rot. Bonds4

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide (PubChem CID 62901438) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide
PubChem CID62901438
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide
SMILESCCC(Oc1cccc2c1OC(C)(C)C2)C(N)=O
InChIInChI=1S/C14H19NO3/c1-4-10(13(15)16)17-11-7-5-6-9-8-14(2,3)18-12(9)11/h5-7,10H,4,8H2,1-3H3,(H2,15,16)
InChIKeyIJQXEAVILZRDQO-UHFFFAOYSA-N
XLogP2.04
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide (CID 62901438) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide is CCC(Oc1cccc2c1OC(C)(C)C2)C(N)=O.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide?
The InChIKey is IJQXEAVILZRDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-10(13(15)16)17-11-7-5-6-9-8-14(2,3)18-12(9)11/h5-7,10H,4,8H2,1-3H3,(H2,15,16).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide has a molecular weight of 249.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide is sourced from PubChem (CID 62901438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).