2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide

C16H23NO3 — CID 65119121

IUPAC2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccccc2O)CC1
InChIInChI=1S/C16H23NO3/c1-15(2)7-9-16(20,10-8-15)11-17-14(19)12-5-3-4-6-13(12)18/h3-6,18,20H,7-11H2,1-2H3,(H,17,19)
InChIKeyBEVAOZVPAOFZQD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.45
Rot. Bonds3

About 2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide

2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide (PubChem CID 65119121) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
PubChem CID65119121
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccccc2O)CC1
InChIInChI=1S/C16H23NO3/c1-15(2)7-9-16(20,10-8-15)11-17-14(19)12-5-3-4-6-13(12)18/h3-6,18,20H,7-11H2,1-2H3,(H,17,19)
InChIKeyBEVAOZVPAOFZQD-UHFFFAOYSA-N
XLogP2.45
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide 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

2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107075481
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65119076
2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742541
2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide
CID 106686929
2-amino-5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117687
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 114344926
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615
2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide
CID 65120899

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide (CID 65119121) is 2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide is CC1(C)CCC(O)(CNC(=O)c2ccccc2O)CC1.
What is the InChIKey of 2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The InChIKey is BEVAOZVPAOFZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-15(2)7-9-16(20,10-8-15)11-17-14(19)12-5-3-4-6-13(12)18/h3-6,18,20H,7-11H2,1-2H3,(H,17,19).
What are the key properties of 2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide has a molecular weight of 277.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 65119121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).