N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide

C15H18N2O3 — CID 60717143

IUPACN-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC2(C#N)CCCCC2)c1
InChIInChI=1S/C15H18N2O3/c1-20-11-5-6-13(18)12(9-11)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8H2,1H3,(H,17,19)
InChIKeySRRDCWBFKYQXAN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.36
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide

N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide (PubChem CID 60717143) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide
PubChem CID60717143
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC2(C#N)CCCCC2)c1
InChIInChI=1S/C15H18N2O3/c1-20-11-5-6-13(18)12(9-11)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8H2,1H3,(H,17,19)
InChIKeySRRDCWBFKYQXAN-UHFFFAOYSA-N
XLogP2.36
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide
CID 60967528
N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide
CID 60704649
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 65113519
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-5-methoxybenzoate
CID 47077797
4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 103969819
N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102883092
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014344
N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
CID 81041266
N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
CID 55207961

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide (CID 60717143) is N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NC2(C#N)CCCCC2)c1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is SRRDCWBFKYQXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-11-5-6-13(18)12(9-11)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)-2-hydroxy-5-methoxybenzamide?
N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 60717143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).