N-(cyclohexylmethyl)-2,3-dihydroxybenzamide

C14H19NO3 — CID 56679854

IUPACN-(cyclohexylmethyl)-2,3-dihydroxybenzamide
SMILESO=C(NCC1CCCCC1)c1cccc(O)c1O
InChIInChI=1S/C14H19NO3/c16-12-8-4-7-11(13(12)17)14(18)15-9-10-5-2-1-3-6-10/h4,7-8,10,16-17H,1-3,5-6,9H2,(H,15,18)
InChIKeySPRQDHZLXJCZBJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.41
Rot. Bonds3

About N-(cyclohexylmethyl)-2,3-dihydroxybenzamide

N-(cyclohexylmethyl)-2,3-dihydroxybenzamide (PubChem CID 56679854) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,3-dihydroxybenzamide
PubChem CID56679854
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(cyclohexylmethyl)-2,3-dihydroxybenzamide
SMILESO=C(NCC1CCCCC1)c1cccc(O)c1O
InChIInChI=1S/C14H19NO3/c16-12-8-4-7-11(13(12)17)14(18)15-9-10-5-2-1-3-6-10/h4,7-8,10,16-17H,1-3,5-6,9H2,(H,15,18)
InChIKeySPRQDHZLXJCZBJ-UHFFFAOYSA-N
XLogP2.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.41
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)-3-hydroxy-2-methylbenzamide
CID 82826551
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738
2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide
CID 107303203
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
CID 115540050
N-(cyclopentylmethyl)-2-sulfamoylbenzamide
CID 43371345
N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
CID 114344475
4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
CID 47435885

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(cyclohexylmethyl)-2,3-dihydroxybenzamide (CID 56679854) is N-(cyclohexylmethyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-2,3-dihydroxybenzamide is O=C(NCC1CCCCC1)c1cccc(O)c1O.
What is the InChIKey of N-(cyclohexylmethyl)-2,3-dihydroxybenzamide?
The InChIKey is SPRQDHZLXJCZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-12-8-4-7-11(13(12)17)14(18)15-9-10-5-2-1-3-6-10/h4,7-8,10,16-17H,1-3,5-6,9H2,(H,15,18).
What are the key properties of N-(cyclohexylmethyl)-2,3-dihydroxybenzamide?
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide has a molecular weight of 249.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 56679854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).