N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide

C17H21NO3 — CID 87001290

IUPACN-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide
SMILESO=C(COC1CCCCC1)NCc1cc2ccccc2o1
InChIInChI=1S/C17H21NO3/c19-17(12-20-14-7-2-1-3-8-14)18-11-15-10-13-6-4-5-9-16(13)21-15/h4-6,9-10,14H,1-3,7-8,11-12H2,(H,18,19)
InChIKeyLJRCMMVDXSKEPO-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.40
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide

N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide (PubChem CID 87001290) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide
PubChem CID87001290
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide
SMILESO=C(COC1CCCCC1)NCc1cc2ccccc2o1
InChIInChI=1S/C17H21NO3/c19-17(12-20-14-7-2-1-3-8-14)18-11-15-10-13-6-4-5-9-16(13)21-15/h4-6,9-10,14H,1-3,7-8,11-12H2,(H,18,19)
InChIKeyLJRCMMVDXSKEPO-UHFFFAOYSA-N
XLogP3.40
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)cyclopentanamine
CID 28610923
1-(1-benzofuran-2-yl)-2-cyclobutyloxyethanone
CID 62141411
N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide
CID 87018603
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
4-[(1-benzofuran-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79530100
N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine
CID 63448343
N-(1-benzofuran-2-ylmethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 86994486
2-cyclopentyloxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 47056419
N-[2-(1-benzofuran-2-yl)ethyl]piperidine-2-carboxamide
CID 119332486
N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131897762
1-(1-benzofuran-2-ylmethyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924364
N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451959

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide (CID 87001290) is N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide is O=C(COC1CCCCC1)NCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide?
The InChIKey is LJRCMMVDXSKEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-17(12-20-14-7-2-1-3-8-14)18-11-15-10-13-6-4-5-9-16(13)21-15/h4-6,9-10,14H,1-3,7-8,11-12H2,(H,18,19).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide?
N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide has a molecular weight of 287.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide is sourced from PubChem (CID 87001290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).