N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

C25H23NO2 — CID 7930956

IUPACN-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NC(c3ccccc3)c3ccccc3)c2cc1C
InChIInChI=1S/C25H23NO2/c1-17-13-22-21(16-28-23(22)14-18(17)2)15-24(27)26-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,16,25H,15H2,1-2H3,(H,26,27)
InChIKeyKHHDTGUCDVCADL-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.50
Rot. Bonds5

About N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 7930956) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID7930956
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC NameN-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NC(c3ccccc3)c3ccccc3)c2cc1C
InChIInChI=1S/C25H23NO2/c1-17-13-22-21(16-28-23(22)14-18(17)2)15-24(27)26-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,16,25H,15H2,1-2H3,(H,26,27)
InChIKeyKHHDTGUCDVCADL-UHFFFAOYSA-N
XLogP5.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251987
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 51968597
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-phenylphenyl)acetamide
CID 16546100
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145
2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide
CID 42897715
N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 35518370
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2446439
2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide
CID 86916060
N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 17395817
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 7930956) is N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)NC(c3ccccc3)c3ccccc3)c2cc1C.
What is the InChIKey of N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is KHHDTGUCDVCADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-17-13-22-21(16-28-23(22)14-18(17)2)15-24(27)26-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,16,25H,15H2,1-2H3,(H,26,27).
What are the key properties of N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 369.46 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 7930956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).