2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide

C21H25NO4 — CID 55782492

IUPAC2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)NC2CC(C)(C)Cc3oc(C)cc32)cc1
InChIInChI=1S/C21H25NO4/c1-13-9-17-18(10-21(3,4)11-19(17)26-13)22-20(24)12-25-16-7-5-15(6-8-16)14(2)23/h5-9,18H,10-12H2,1-4H3,(H,22,24)
InChIKeyXRLKSUOWFLZBQS-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.00
Rot. Bonds5

About 2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide

2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide (PubChem CID 55782492) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
PubChem CID55782492
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)NC2CC(C)(C)Cc3oc(C)cc32)cc1
InChIInChI=1S/C21H25NO4/c1-13-9-17-18(10-21(3,4)11-19(17)26-13)22-20(24)12-25-16-7-5-15(6-8-16)14(2)23/h5-9,18H,10-12H2,1-4H3,(H,22,24)
InChIKeyXRLKSUOWFLZBQS-UHFFFAOYSA-N
XLogP4.00
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide (CID 55782492) is 2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide is CC(=O)c1ccc(OCC(=O)NC2CC(C)(C)Cc3oc(C)cc32)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The InChIKey is XRLKSUOWFLZBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-13-9-17-18(10-21(3,4)11-19(17)26-13)22-20(24)12-25-16-7-5-15(6-8-16)14(2)23/h5-9,18H,10-12H2,1-4H3,(H,22,24).
What are the key properties of 2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide has a molecular weight of 355.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide is sourced from PubChem (CID 55782492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).