N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide

C25H21NO4 — CID 4098051

IUPACN-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc1C
InChIInChI=1S/C25H21NO4/c1-16-12-13-19(14-17(16)2)29-15-22(27)26-23-20-10-6-7-11-21(20)30-25(23)24(28)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyNZNWPKPNFPSTEP-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.30
Rot. Bonds6

About N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide

N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 4098051) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide
PubChem CID4098051
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC NameN-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc1C
InChIInChI=1S/C25H21NO4/c1-16-12-13-19(14-17(16)2)29-15-22(27)26-23-20-10-6-7-11-21(20)30-25(23)24(28)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyNZNWPKPNFPSTEP-UHFFFAOYSA-N
XLogP5.30
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide (CID 4098051) is N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc1C.
What is the InChIKey of N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is NZNWPKPNFPSTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-16-12-13-19(14-17(16)2)29-15-22(27)26-23-20-10-6-7-11-21(20)30-25(23)24(28)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,26,27).
What are the key properties of N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide?
N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 399.45 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 4098051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).