N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide

C22H25NO2 — CID 67850039

IUPACN-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCC(C)(C)C)oc3ccc(C)cc23)cc1
InChIInChI=1S/C22H25NO2/c1-14-6-9-16(10-7-14)19-17-12-15(2)8-11-18(17)25-20(19)21(24)23-13-22(3,4)5/h6-12H,13H2,1-5H3,(H,23,24)
InChIKeyFTYMCALSEUFMGV-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.49
Rot. Bonds3

About N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide

N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 67850039) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide
PubChem CID67850039
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC NameN-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCC(C)(C)C)oc3ccc(C)cc23)cc1
InChIInChI=1S/C22H25NO2/c1-14-6-9-16(10-7-14)19-17-12-15(2)8-11-18(17)25-20(19)21(24)23-13-22(3,4)5/h6-12H,13H2,1-5H3,(H,23,24)
InChIKeyFTYMCALSEUFMGV-UHFFFAOYSA-N
XLogP5.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide (CID 67850039) is N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide is Cc1ccc(-c2c(C(=O)NCC(C)(C)C)oc3ccc(C)cc23)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is FTYMCALSEUFMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-14-6-9-16(10-7-14)19-17-12-15(2)8-11-18(17)25-20(19)21(24)23-13-22(3,4)5/h6-12H,13H2,1-5H3,(H,23,24).
What are the key properties of N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide?
N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-5-methyl-3-(4-methylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 67850039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).