2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide

C16H15NO3 — CID 18109883

IUPAC2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C16H15NO3/c1-17(19-2)15(18)9-12-10-20-14-8-7-11-5-3-4-6-13(11)16(12)14/h3-8,10H,9H2,1-2H3
InChIKeyXHFYNLHGXJJWSG-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.15
Rot. Bonds3

About 2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide

2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide (PubChem CID 18109883) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
PubChem CID18109883
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C16H15NO3/c1-17(19-2)15(18)9-12-10-20-14-8-7-11-5-3-4-6-13(11)16(12)14/h3-8,10H,9H2,1-2H3
InChIKeyXHFYNLHGXJJWSG-UHFFFAOYSA-N
XLogP3.15
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide (CID 18109883) is 2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide is CON(C)C(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide?
The InChIKey is XHFYNLHGXJJWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17(19-2)15(18)9-12-10-20-14-8-7-11-5-3-4-6-13(11)16(12)14/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide?
2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide has a molecular weight of 269.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide is sourced from PubChem (CID 18109883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).