2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide

C15H21NO3 — CID 107303203

IUPAC2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide
SMILESCC1CCCC(CNC(=O)c2cccc(O)c2O)C1
InChIInChI=1S/C15H21NO3/c1-10-4-2-5-11(8-10)9-16-15(19)12-6-3-7-13(17)14(12)18/h3,6-7,10-11,17-18H,2,4-5,8-9H2,1H3,(H,16,19)
InChIKeyXBGVYASTMOOMCS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.65
Rot. Bonds3

About 2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide

2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide (PubChem CID 107303203) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide
PubChem CID107303203
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide
SMILESCC1CCCC(CNC(=O)c2cccc(O)c2O)C1
InChIInChI=1S/C15H21NO3/c1-10-4-2-5-11(8-10)9-16-15(19)12-6-3-7-13(17)14(12)18/h3,6-7,10-11,17-18H,2,4-5,8-9H2,1H3,(H,16,19)
InChIKeyXBGVYASTMOOMCS-UHFFFAOYSA-N
XLogP2.65
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738
6-amino-N-[(3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103832143
N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 106132057
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764483
5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
CID 47435885
2-hydroxy-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63008147
2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide
CID 61380888

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide (CID 107303203) is 2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide is CC1CCCC(CNC(=O)c2cccc(O)c2O)C1.
What is the InChIKey of 2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide?
The InChIKey is XBGVYASTMOOMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-4-2-5-11(8-10)9-16-15(19)12-6-3-7-13(17)14(12)18/h3,6-7,10-11,17-18H,2,4-5,8-9H2,1H3,(H,16,19).
What are the key properties of 2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide?
2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 107303203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).