3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide

C17H21NO2 — CID 24818395

IUPAC3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCC1CCCCC1NC(=O)C2=C(C3=CC=CC=C3O2)C
InChIInChI=1S/C17H21NO2/c1-11-7-3-5-9-14(11)18-17(19)16-12(2)13-8-4-6-10-15(13)20-16/h4,6,8,10-11,14H,3,5,7,9H2,1-2H3,(H,18,19)
InChIKeyOJJVRDWVTRQDPI-UHFFFAOYSA-N
MW271.35 g/mol
LogP4.50
Rot. Bonds2

About 3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide

3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide (PubChem CID 24818395) has the molecular formula C17H21NO2 and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide
PubChem CID24818395
Molecular FormulaC17H21NO2
Molecular Weight271.35 g/mol
Exact Mass271.16
IUPAC Name3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCC1CCCCC1NC(=O)C2=C(C3=CC=CC=C3O2)C
InChIInChI=1S/C17H21NO2/c1-11-7-3-5-9-14(11)18-17(19)16-12(2)13-8-4-6-10-15(13)20-16/h4,6,8,10-11,14H,3,5,7,9H2,1-2H3,(H,18,19)
InChIKeyOJJVRDWVTRQDPI-UHFFFAOYSA-N
XLogP4.50
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity357

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
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Befuraline
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide (CID 24818395) is 3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide is CC1CCCCC1NC(=O)C2=C(C3=CC=CC=C3O2)C.
What is the InChIKey of 3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The InChIKey is OJJVRDWVTRQDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-7-3-5-9-14(11)18-17(19)16-12(2)13-8-4-6-10-15(13)20-16/h4,6,8,10-11,14H,3,5,7,9H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24818395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).