4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide

C23H24N2O2 — CID 138553611

IUPAC4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(C#N)cc1)C1CCC2(CC1)COc1ccccc12
InChIInChI=1S/C23H24N2O2/c1-16(25-22(26)19-8-6-17(14-24)7-9-19)18-10-12-23(13-11-18)15-27-21-5-3-2-4-20(21)23/h2-9,16,18H,10-13,15H2,1H3,(H,25,26)
InChIKeyLZTHCLSMEXUVNV-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.20
Rot. Bonds3

About 4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide

4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide (PubChem CID 138553611) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide
PubChem CID138553611
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(C#N)cc1)C1CCC2(CC1)COc1ccccc12
InChIInChI=1S/C23H24N2O2/c1-16(25-22(26)19-8-6-17(14-24)7-9-19)18-10-12-23(13-11-18)15-27-21-5-3-2-4-20(21)23/h2-9,16,18H,10-13,15H2,1H3,(H,25,26)
InChIKeyLZTHCLSMEXUVNV-UHFFFAOYSA-N
XLogP4.20
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide;6-methyl-2-[(1S)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-benzimidazole;6-methyl-2-[(1R)-1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl]-1H-imidazo[4,5-b]pyridine;6-methyl-2-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)-1H-imidazo[4,5-b]pyridine
CID 161204492
3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
CID 51547056
4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
CID 146987557
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
4-benzamido-N-(1-cyclopropylethyl)benzamide
CID 134006926
N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
CID 7689203
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481732
4-cyano-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 51177603
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
N-(1-bromopropan-2-yl)-4-cyanobenzamide
CID 114310444

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide?
The IUPAC name of 4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide (CID 138553611) is 4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide.
What is the SMILES notation for 4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide?
The canonical SMILES for 4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide is CC(NC(=O)c1ccc(C#N)cc1)C1CCC2(CC1)COc1ccccc12.
What is the InChIKey of 4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide?
The InChIKey is LZTHCLSMEXUVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16(25-22(26)19-8-6-17(14-24)7-9-19)18-10-12-23(13-11-18)15-27-21-5-3-2-4-20(21)23/h2-9,16,18H,10-13,15H2,1H3,(H,25,26).
What are the key properties of 4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide?
4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide is sourced from PubChem (CID 138553611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).