N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide

C15H18N2O2 — CID 60718518

IUPACN-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(C#N)CCCCC2)cc1O
InChIInChI=1S/C15H18N2O2/c1-11-5-6-12(9-13(11)18)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyBFUAQHGSTZLHHY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.66
Rot. Bonds2

About N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide

N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide (PubChem CID 60718518) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
PubChem CID60718518
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(C#N)CCCCC2)cc1O
InChIInChI=1S/C15H18N2O2/c1-11-5-6-12(9-13(11)18)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyBFUAQHGSTZLHHY-UHFFFAOYSA-N
XLogP2.66
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
CID 60966830
N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 62113316
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide
CID 82797779
N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
CID 81041266
N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 86917827
N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 60717143
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-(1-cyanocycloheptyl)-3-iodobenzamide
CID 54904742

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide (CID 60718518) is N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC2(C#N)CCCCC2)cc1O.
What is the InChIKey of N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide?
The InChIKey is BFUAQHGSTZLHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-5-6-12(9-13(11)18)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8H2,1H3,(H,17,19).
What are the key properties of N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide?
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 60718518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).