N-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide

C16H19NO3 — CID 102635560

IUPACN-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2o1)C1CCCCC1O
InChIInChI=1S/C16H19NO3/c1-17(12-7-3-4-8-13(12)18)16(19)15-10-11-6-2-5-9-14(11)20-15/h2,5-6,9-10,12-13,18H,3-4,7-8H2,1H3
InChIKeyFUHKBFWHRMLUNW-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.81
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide

N-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 102635560) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide
PubChem CID102635560
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2o1)C1CCCCC1O
InChIInChI=1S/C16H19NO3/c1-17(12-7-3-4-8-13(12)18)16(19)15-10-11-6-2-5-9-14(11)20-15/h2,5-6,9-10,12-13,18H,3-4,7-8H2,1H3
InChIKeyFUHKBFWHRMLUNW-UHFFFAOYSA-N
XLogP2.81
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-ethyl-1-benzofuran-2-carboxamide
CID 60592186
5-bromo-N-(2-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 102632344
N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-1-benzofuran-2-carboxamide
CID 95783333
N-(2-aminoethyl)-N-cyclopentyl-1-benzofuran-2-carboxamide
CID 63754807
N-(2-hydroxycyclohexyl)-1-benzofuran-2-carboxamide
CID 55064168
(2S,3R)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-3-phenyloxirane-2-carboxamide
CID 87512927
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
N-cyclobutyl-N-(3-hydroxypropyl)-1-benzofuran-2-carboxamide
CID 102866226
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-benzofuran-2-yl-(2-methylcyclopentyl)methanone
CID 107187534
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide
CID 19798383

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide (CID 102635560) is N-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide is CN(C(=O)c1cc2ccccc2o1)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is FUHKBFWHRMLUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-17(12-7-3-4-8-13(12)18)16(19)15-10-11-6-2-5-9-14(11)20-15/h2,5-6,9-10,12-13,18H,3-4,7-8H2,1H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide?
N-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 102635560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).