3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide

C16H23NO3 — CID 115993853

IUPAC3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CO)CCCCC2)cc1O
InChIInChI=1S/C16H23NO3/c1-12-5-6-13(9-14(12)19)15(20)17-10-16(11-18)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-11H2,1H3,(H,17,20)
InChIKeyJKXMEFRHFKDRRA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.37
Rot. Bonds4

About 3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide

3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide (PubChem CID 115993853) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
PubChem CID115993853
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CO)CCCCC2)cc1O
InChIInChI=1S/C16H23NO3/c1-12-5-6-13(9-14(12)19)15(20)17-10-16(11-18)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-11H2,1H3,(H,17,20)
InChIKeyJKXMEFRHFKDRRA-UHFFFAOYSA-N
XLogP2.37
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 115365565
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 103957600
3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide
CID 113434894
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-5-sulfanylbenzamide
CID 107034278
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 103965168
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 115362723
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643
3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 110642402

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide (CID 115993853) is 3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2(CO)CCCCC2)cc1O.
What is the InChIKey of 3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide?
The InChIKey is JKXMEFRHFKDRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-5-6-13(9-14(12)19)15(20)17-10-16(11-18)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-11H2,1H3,(H,17,20).
What are the key properties of 3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide?
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide has a molecular weight of 277.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 115993853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).