3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide

C23H27NO2 — CID 42644567

IUPAC3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide
SMILESCC1(Cc2ccccc2)COc2cc(C(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C23H27NO2/c1-23(15-17-8-4-2-5-9-17)16-26-21-14-18(12-13-20(21)23)22(25)24-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,24,25)
InChIKeyHSCASUFRAKWXOY-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.64
Rot. Bonds4

About 3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide

3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide (PubChem CID 42644567) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide
PubChem CID42644567
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide
SMILESCC1(Cc2ccccc2)COc2cc(C(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C23H27NO2/c1-23(15-17-8-4-2-5-9-17)16-26-21-14-18(12-13-20(21)23)22(25)24-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,24,25)
InChIKeyHSCASUFRAKWXOY-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-((3-Benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
CID 24766011
PF-429242
CID 23661637
N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 746156
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
3-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353229
4-tert-butyl-N-(2-phenoxyethyl)benzamide
CID 2244662
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
Ncl-1
CID 73755256
4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-N,N-diethylbenzamide
CID 44275619
4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-N-propan-2-ylbenzamide
CID 44275761
N-Ethyl-4-{(3-methoxy-phenyl)-[8-(3-methyl-but-2-enyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-methyl}-benzamide
CID 44306977
N-Ethyl-4-[(3-methoxy-phenyl)-(8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 44307198

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide?
The IUPAC name of 3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide (CID 42644567) is 3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide.
What is the SMILES notation for 3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide?
The canonical SMILES for 3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide is CC1(Cc2ccccc2)COc2cc(C(=O)NC3CCCCC3)ccc21.
What is the InChIKey of 3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide?
The InChIKey is HSCASUFRAKWXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-23(15-17-8-4-2-5-9-17)16-26-21-14-18(12-13-20(21)23)22(25)24-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,24,25).
What are the key properties of 3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide?
3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide has a molecular weight of 349.47 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide is sourced from PubChem (CID 42644567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).