N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide

C15H17NO4 — CID 86817850

IUPACN-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1c(C(C)=O)oc2ccccc12
InChIInChI=1S/C15H17NO4/c1-3-8-19-9-13(18)16-14-11-6-4-5-7-12(11)20-15(14)10(2)17/h4-7H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyROGUEBBEWWDRJX-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.00
Rot. Bonds6

About N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide

N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide (PubChem CID 86817850) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide
PubChem CID86817850
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1c(C(C)=O)oc2ccccc12
InChIInChI=1S/C15H17NO4/c1-3-8-19-9-13(18)16-14-11-6-4-5-7-12(11)20-15(14)10(2)17/h4-7H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyROGUEBBEWWDRJX-UHFFFAOYSA-N
XLogP3.00
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide?
The IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide (CID 86817850) is N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide?
The canonical SMILES for N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide is CCCOCC(=O)Nc1c(C(C)=O)oc2ccccc12.
What is the InChIKey of N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide?
The InChIKey is ROGUEBBEWWDRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-8-19-9-13(18)16-14-11-6-4-5-7-12(11)20-15(14)10(2)17/h4-7H,3,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide?
N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide has a molecular weight of 275.30 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide is sourced from PubChem (CID 86817850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).