N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide

C17H21NO2 — CID 166158839

IUPACN-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
SMILESCc1ccc2oc(CNC(=O)C3CCCCC3)cc2c1
InChIInChI=1S/C17H21NO2/c1-12-7-8-16-14(9-12)10-15(20-16)11-18-17(19)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,19)
InChIKeySDTMMZNNKGLXCU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.94
Rot. Bonds3

About N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide

N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide (PubChem CID 166158839) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
PubChem CID166158839
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
SMILESCc1ccc2oc(CNC(=O)C3CCCCC3)cc2c1
InChIInChI=1S/C17H21NO2/c1-12-7-8-16-14(9-12)10-15(20-16)11-18-17(19)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,19)
InChIKeySDTMMZNNKGLXCU-UHFFFAOYSA-N
XLogP3.94
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 167840729
4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 166268886
N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 126777983
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590
N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 55013130
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 135337241
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 63753713
2,2-dimethyl-3-(5-methyl-1-benzofuran-2-yl)propanoic acid
CID 117195137
[2-(aminomethyl)azepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 116639875

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide (CID 166158839) is N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide is Cc1ccc2oc(CNC(=O)C3CCCCC3)cc2c1.
What is the InChIKey of N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide?
The InChIKey is SDTMMZNNKGLXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-7-8-16-14(9-12)10-15(20-16)11-18-17(19)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,19).
What are the key properties of N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide?
N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 166158839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).