5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide

C17H22N2O2 — CID 63995040

IUPAC5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cc(N)ccc3o2)C(C)C1
InChIInChI=1S/C17H22N2O2/c1-10-3-5-14(11(2)7-10)19-17(20)16-9-12-8-13(18)4-6-15(12)21-16/h4,6,8-11,14H,3,5,7,18H2,1-2H3,(H,19,20)
InChIKeyWFVDXBLCAHXPFA-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.57
Rot. Bonds2

About 5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide

5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide (PubChem CID 63995040) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide
PubChem CID63995040
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cc(N)ccc3o2)C(C)C1
InChIInChI=1S/C17H22N2O2/c1-10-3-5-14(11(2)7-10)19-17(20)16-9-12-8-13(18)4-6-15(12)21-16/h4,6,8-11,14H,3,5,7,18H2,1-2H3,(H,19,20)
InChIKeyWFVDXBLCAHXPFA-UHFFFAOYSA-N
XLogP3.57
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide
CID 63277574
5-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 10236388
5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide
CID 114628214
6-amino-N-(2,4-dimethylcyclohexyl)-1H-indole-3-carboxamide
CID 63993854
5-amino-N-(2,4-dimethylcyclohexyl)-1H-indazole-3-carboxamide
CID 63996231
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
CID 61092383
3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide
CID 63996432
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
CID 63999184
5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide
CID 63998181
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide (CID 63995040) is 5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide is CC1CCC(NC(=O)c2cc3cc(N)ccc3o2)C(C)C1.
What is the InChIKey of 5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide?
The InChIKey is WFVDXBLCAHXPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-3-5-14(11(2)7-10)19-17(20)16-9-12-8-13(18)4-6-15(12)21-16/h4,6,8-11,14H,3,5,7,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide?
5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4-dimethylcyclohexyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 63995040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).