3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide

C17H21NO2 — CID 17173009

IUPAC3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCC(C)CC2)oc2ccccc12
InChIInChI=1S/C17H21NO2/c1-11-7-9-13(10-8-11)18-17(19)16-12(2)14-5-3-4-6-15(14)20-16/h3-6,11,13H,7-10H2,1-2H3,(H,18,19)
InChIKeyMXZRGWIZNSBAKS-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.05
Rot. Bonds2

About 3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide

3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide (PubChem CID 17173009) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
PubChem CID17173009
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCC(C)CC2)oc2ccccc12
InChIInChI=1S/C17H21NO2/c1-11-7-9-13(10-8-11)18-17(19)16-12(2)14-5-3-4-6-15(14)20-16/h3-6,11,13H,7-10H2,1-2H3,(H,18,19)
InChIKeyMXZRGWIZNSBAKS-UHFFFAOYSA-N
XLogP4.05
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide (CID 17173009) is 3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCC(C)CC2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The InChIKey is MXZRGWIZNSBAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-7-9-13(10-8-11)18-17(19)16-12(2)14-5-3-4-6-15(14)20-16/h3-6,11,13H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17173009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).