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

C25H24N2O4 — CID 26842085

IUPAC2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide
SMILESCC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccccc4C(N)=O)cc3)c2O1
InChIInChI=1S/C25H24N2O4/c1-25(2)14-18-6-5-9-21(22(18)31-25)30-15-16-10-12-17(13-11-16)24(29)27-20-8-4-3-7-19(20)23(26)28/h3-13H,14-15H2,1-2H3,(H2,26,28)(H,27,29)
InChIKeyMYVWHFUVFQWJIZ-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.33
Rot. Bonds6

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

2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide (PubChem CID 26842085) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide
PubChem CID26842085
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide
SMILESCC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccccc4C(N)=O)cc3)c2O1
InChIInChI=1S/C25H24N2O4/c1-25(2)14-18-6-5-9-21(22(18)31-25)30-15-16-10-12-17(13-11-16)24(29)27-20-8-4-3-7-19(20)23(26)28/h3-13H,14-15H2,1-2H3,(H2,26,28)(H,27,29)
InChIKeyMYVWHFUVFQWJIZ-UHFFFAOYSA-N
XLogP4.33
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
methyl 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoate
CID 24818301
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-methoxyphenyl)benzamide
CID 26842036
N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842050
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-(3-nitrophenyl)benzamide
CID 26842034
N-[(2-chlorophenyl)methyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842014
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N,N-bis(2-methoxyethyl)benzamide
CID 26841997
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-prop-2-enylbenzamide
CID 55413527
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 2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide (CID 26842085) is 2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide is CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccccc4C(N)=O)cc3)c2O1.
What is the InChIKey of 2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide?
The InChIKey is MYVWHFUVFQWJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-25(2)14-18-6-5-9-21(22(18)31-25)30-15-16-10-12-17(13-11-16)24(29)27-20-8-4-3-7-19(20)23(26)28/h3-13H,14-15H2,1-2H3,(H2,26,28)(H,27,29).
What are the key properties of 2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide?
2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide has a molecular weight of 416.48 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide is sourced from PubChem (CID 26842085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).