7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide

C17H21NO3 — CID 78867681

IUPAC7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3CCC(C)CC3)oc12
InChIInChI=1S/C17H21NO3/c1-11-6-8-13(9-7-11)18-17(19)15-10-12-4-3-5-14(20-2)16(12)21-15/h3-5,10-11,13H,6-9H2,1-2H3,(H,18,19)
InChIKeyITBXVBXLEVLWSX-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.75
Rot. Bonds3

About 7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide

7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide (PubChem CID 78867681) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
PubChem CID78867681
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3CCC(C)CC3)oc12
InChIInChI=1S/C17H21NO3/c1-11-6-8-13(9-7-11)18-17(19)15-10-12-4-3-5-14(20-2)16(12)21-15/h3-5,10-11,13H,6-9H2,1-2H3,(H,18,19)
InChIKeyITBXVBXLEVLWSX-UHFFFAOYSA-N
XLogP3.75
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 71785684
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 98783372
7-methoxy-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-2-carboxamide
CID 99987504
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722844
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 111696335
7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 38016871
7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 136666518
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 75280400
1-cyclopropyl-3-[(E)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]thiourea
CID 75362093
7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 99715119

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide (CID 78867681) is 7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC3CCC(C)CC3)oc12.
What is the InChIKey of 7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The InChIKey is ITBXVBXLEVLWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-6-8-13(9-7-11)18-17(19)15-10-12-4-3-5-14(20-2)16(12)21-15/h3-5,10-11,13H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78867681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).