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

C25H25NO4 — CID 26842036

IUPAC4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1
InChIInChI=1S/C25H25NO4/c1-25(2)15-19-6-4-9-22(23(19)30-25)29-16-17-10-12-18(13-11-17)24(27)26-20-7-5-8-21(14-20)28-3/h4-14H,15-16H2,1-3H3,(H,26,27)
InChIKeyLESLYIQOTVWZSS-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.24
Rot. Bonds6

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

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide (PubChem CID 26842036) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide
PubChem CID26842036
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1
InChIInChI=1S/C25H25NO4/c1-25(2)15-19-6-4-9-22(23(19)30-25)29-16-17-10-12-18(13-11-17)24(27)26-20-7-5-8-21(14-20)28-3/h4-14H,15-16H2,1-3H3,(H,26,27)
InChIKeyLESLYIQOTVWZSS-UHFFFAOYSA-N
XLogP5.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide
CID 26842060
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-nitrophenyl)benzamide
CID 26842034
N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842050
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
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8552286
N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 8552006
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N,N-bis(2-methoxyethyl)benzamide
CID 26841997
N-[(2-chlorophenyl)methyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842014
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
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-methoxyphenyl)benzamide?
The IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide (CID 26842036) is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1.
What is the InChIKey of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide?
The InChIKey is LESLYIQOTVWZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-25(2)15-19-6-4-9-22(23(19)30-25)29-16-17-10-12-18(13-11-17)24(27)26-20-7-5-8-21(14-20)28-3/h4-14H,15-16H2,1-3H3,(H,26,27).
What are the key properties of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide?
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 403.48 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 26842036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).