2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide

C12H16N2O3 — CID 63097258

IUPAC2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide
SMILESCCC(Oc1ccc2c(c1)OCC2N)C(N)=O
InChIInChI=1S/C12H16N2O3/c1-2-10(12(14)15)17-7-3-4-8-9(13)6-16-11(8)5-7/h3-5,9-10H,2,6,13H2,1H3,(H2,14,15)
InChIKeyVZUKKFQWUOJRQJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.72
Rot. Bonds4

About 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide

2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide (PubChem CID 63097258) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide.

Molecular Properties

Compound Name2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide
PubChem CID63097258
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide
SMILESCCC(Oc1ccc2c(c1)OCC2N)C(N)=O
InChIInChI=1S/C12H16N2O3/c1-2-10(12(14)15)17-7-3-4-8-9(13)6-16-11(8)5-7/h3-5,9-10H,2,6,13H2,1H3,(H2,14,15)
InChIKeyVZUKKFQWUOJRQJ-UHFFFAOYSA-N
XLogP0.72
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide?
The IUPAC name of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide (CID 63097258) is 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide.
What is the SMILES notation for 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide?
The canonical SMILES for 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide is CCC(Oc1ccc2c(c1)OCC2N)C(N)=O.
What is the InChIKey of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide?
The InChIKey is VZUKKFQWUOJRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-10(12(14)15)17-7-3-4-8-9(13)6-16-11(8)5-7/h3-5,9-10H,2,6,13H2,1H3,(H2,14,15).
What are the key properties of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide?
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide has a molecular weight of 236.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide is sourced from PubChem (CID 63097258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).