N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide

C15H21NO3 — CID 103955392

IUPACN-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
SMILESCC1CCCC(NC(=O)c2ccc(O)c(O)c2)C1C
InChIInChI=1S/C15H21NO3/c1-9-4-3-5-12(10(9)2)16-15(19)11-6-7-13(17)14(18)8-11/h6-10,12,17-18H,3-5H2,1-2H3,(H,16,19)
InChIKeyBCKKYTSEMQARCU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.65
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide

N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide (PubChem CID 103955392) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
PubChem CID103955392
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
SMILESCC1CCCC(NC(=O)c2ccc(O)c(O)c2)C1C
InChIInChI=1S/C15H21NO3/c1-9-4-3-5-12(10(9)2)16-15(19)11-6-7-13(17)14(18)8-11/h6-10,12,17-18H,3-5H2,1-2H3,(H,16,19)
InChIKeyBCKKYTSEMQARCU-UHFFFAOYSA-N
XLogP2.65
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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-[(1R,2R)-2-[(3,4-dihydroxybenzoyl)amino]cyclohexyl]-3,4-dihydroxybenzamide
CID 10091534
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
4-hydroxy-3-methyl-N-(2-methylcyclopentyl)benzamide
CID 113358322
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25162668
3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
CID 103221060
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
N-(2,3-dimethylcyclohexyl)-4-hydrazinyl-3-methylbenzamide
CID 63211656
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide
CID 104627390
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide
CID 62156414

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide (CID 103955392) is N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide is CC1CCCC(NC(=O)c2ccc(O)c(O)c2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide?
The InChIKey is BCKKYTSEMQARCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-4-3-5-12(10(9)2)16-15(19)11-6-7-13(17)14(18)8-11/h6-10,12,17-18H,3-5H2,1-2H3,(H,16,19).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide?
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide is sourced from PubChem (CID 103955392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).