2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

C18H19NO4 — CID 86923871

IUPAC2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)NC2CCCc3occc32)c1
InChIInChI=1S/C18H19NO4/c1-12(20)13-4-2-5-14(10-13)23-11-18(21)19-16-6-3-7-17-15(16)8-9-22-17/h2,4-5,8-10,16H,3,6-7,11H2,1H3,(H,19,21)
InChIKeyOZZDBEXNNKACKG-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.05
Rot. Bonds5

About 2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (PubChem CID 86923871) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
PubChem CID86923871
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)NC2CCCc3occc32)c1
InChIInChI=1S/C18H19NO4/c1-12(20)13-4-2-5-14(10-13)23-11-18(21)19-16-6-3-7-17-15(16)8-9-22-17/h2,4-5,8-10,16H,3,6-7,11H2,1H3,(H,19,21)
InChIKeyOZZDBEXNNKACKG-UHFFFAOYSA-N
XLogP3.05
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (CID 86923871) is 2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is CC(=O)c1cccc(OCC(=O)NC2CCCc3occc32)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The InChIKey is OZZDBEXNNKACKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12(20)13-4-2-5-14(10-13)23-11-18(21)19-16-6-3-7-17-15(16)8-9-22-17/h2,4-5,8-10,16H,3,6-7,11H2,1H3,(H,19,21).
What are the key properties of 2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide has a molecular weight of 313.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is sourced from PubChem (CID 86923871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).