3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane

C26H29NO2 — CID 142619516

IUPAC3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane
SMILESCC.Cc1ccccc1NC(=O)c1ccc2c(c1)C(C)(Cc1ccccc1)CO2
InChIInChI=1S/C24H23NO2.C2H6/c1-17-8-6-7-11-21(17)25-23(26)19-12-13-22-20(14-19)24(2,16-27-22)15-18-9-4-3-5-10-18;1-2/h3-14H,15-16H2,1-2H3,(H,25,26);1-2H3
InChIKeyLLKHHBUCOGMJER-UHFFFAOYSA-N
MW387.52 g/mol
LogP6.17
Rot. Bonds4

About 3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane

3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane (PubChem CID 142619516) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane.

Molecular Properties

Compound Name3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane
PubChem CID142619516
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane
SMILESCC.Cc1ccccc1NC(=O)c1ccc2c(c1)C(C)(Cc1ccccc1)CO2
InChIInChI=1S/C24H23NO2.C2H6/c1-17-8-6-7-11-21(17)25-23(26)19-12-13-22-20(14-19)24(2,16-27-22)15-18-9-4-3-5-10-18;1-2/h3-14H,15-16H2,1-2H3,(H,25,26);1-2H3
InChIKeyLLKHHBUCOGMJER-UHFFFAOYSA-N
XLogP6.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-benzyl-3-methyl-5-nitro-2H-1-benzofuran
CID 138978211
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049332
4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047105
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide
CID 59121252
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055274
3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide
CID 72858763
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
1-(1,3-benzodioxole-5-carbonylamino)-3-(2-methylphenyl)thiourea
CID 5169970

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane?
The IUPAC name of 3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane (CID 142619516) is 3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane.
What is the SMILES notation for 3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane?
The canonical SMILES for 3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane is CC.Cc1ccccc1NC(=O)c1ccc2c(c1)C(C)(Cc1ccccc1)CO2.
What is the InChIKey of 3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane?
The InChIKey is LLKHHBUCOGMJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2.C2H6/c1-17-8-6-7-11-21(17)25-23(26)19-12-13-22-20(14-19)24(2,16-27-22)15-18-9-4-3-5-10-18;1-2/h3-14H,15-16H2,1-2H3,(H,25,26);1-2H3.
What are the key properties of 3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane?
3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane has a molecular weight of 387.52 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane is sourced from PubChem (CID 142619516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).