N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide

C21H25NO3 — CID 24982275

IUPACN-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2ccccc2C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C21H25NO3/c1-15-5-4-6-16(13-15)14-25-20-8-3-2-7-19(20)21(24)22-17-9-11-18(23)12-10-17/h2-8,13,17-18,23H,9-12,14H2,1H3,(H,22,24)
InChIKeyYLLCDIFRHCNYRQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.61
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide

N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide (PubChem CID 24982275) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide
PubChem CID24982275
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2ccccc2C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C21H25NO3/c1-15-5-4-6-16(13-15)14-25-20-8-3-2-7-19(20)21(24)22-17-9-11-18(23)12-10-17/h2-8,13,17-18,23H,9-12,14H2,1H3,(H,22,24)
InChIKeyYLLCDIFRHCNYRQ-UHFFFAOYSA-N
XLogP3.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
N-(2-hydroxyphenyl)-2-[(3-methylphenyl)methoxy]benzamide
CID 25494578
N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide
CID 78903302
N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide
CID 7930966
N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide
CID 175019852
2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide
CID 104966719
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 6599751
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-(4-aminocyclohexyl)-2-[(2-methylphenyl)methoxy]benzamide;hydrochloride
CID 119478339
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-cyclobutyl-6-[(3-methylphenyl)methoxy]pyridine-3-carboxamide
CID 58368099

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide (CID 24982275) is N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide is Cc1cccc(COc2ccccc2C(=O)NC2CCC(O)CC2)c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide?
The InChIKey is YLLCDIFRHCNYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-15-5-4-6-16(13-15)14-25-20-8-3-2-7-19(20)21(24)22-17-9-11-18(23)12-10-17/h2-8,13,17-18,23H,9-12,14H2,1H3,(H,22,24).
What are the key properties of N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide?
N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 24982275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).