4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide

C26H27NO3 — CID 26842060

IUPAC4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1C
InChIInChI=1S/C26H27NO3/c1-17-8-13-22(14-18(17)2)27-25(28)20-11-9-19(10-12-20)16-29-23-7-5-6-21-15-26(3,4)30-24(21)23/h5-14H,15-16H2,1-4H3,(H,27,28)
InChIKeyWUSIRAUYIQCNSN-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.85
Rot. Bonds5

About 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide (PubChem CID 26842060) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide
PubChem CID26842060
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1C
InChIInChI=1S/C26H27NO3/c1-17-8-13-22(14-18(17)2)27-25(28)20-11-9-19(10-12-20)16-29-23-7-5-6-21-15-26(3,4)30-24(21)23/h5-14H,15-16H2,1-4H3,(H,27,28)
InChIKeyWUSIRAUYIQCNSN-UHFFFAOYSA-N
XLogP5.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842050
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide
CID 26842036
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-nitrophenyl)benzamide
CID 26842034
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8552286
methyl 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoate
CID 24818301
2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide
CID 26842085
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide
CID 26842040
N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 8552006
1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]-3-(3,4-dimethylphenyl)urea
CID 90578657
N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
CID 126186357
N-[(2-chlorophenyl)methyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842014
N-[2-(cyclohexen-1-yl)ethyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 8552103

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide?
The IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide (CID 26842060) is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1C.
What is the InChIKey of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide?
The InChIKey is WUSIRAUYIQCNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-17-8-13-22(14-18(17)2)27-25(28)20-11-9-19(10-12-20)16-29-23-7-5-6-21-15-26(3,4)30-24(21)23/h5-14H,15-16H2,1-4H3,(H,27,28).
What are the key properties of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide?
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide has a molecular weight of 401.51 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide is sourced from PubChem (CID 26842060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).