N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide

C14H20N2O2 — CID 43653129

IUPACN-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCC(N)CC2)cc1O
InChIInChI=1S/C14H20N2O2/c1-9-2-3-10(8-13(9)17)14(18)16-12-6-4-11(15)5-7-12/h2-3,8,11-12,17H,4-7,15H2,1H3,(H,16,18)
InChIKeyOHPFOTGEPLLRSM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds2

About N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide

N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide (PubChem CID 43653129) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
PubChem CID43653129
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCC(N)CC2)cc1O
InChIInChI=1S/C14H20N2O2/c1-9-2-3-10(8-13(9)17)14(18)16-12-6-4-11(15)5-7-12/h2-3,8,11-12,17H,4-7,15H2,1H3,(H,16,18)
InChIKeyOHPFOTGEPLLRSM-UHFFFAOYSA-N
XLogP1.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653447
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride
CID 119476972
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
4-amino-N-(4-ethylcyclohexyl)-3-hydroxybenzamide
CID 107074880
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
5-[(4-aminocyclohexyl)amino]-2-methylphenol
CID 107700897
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide (CID 43653129) is N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC2CCC(N)CC2)cc1O.
What is the InChIKey of N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide?
The InChIKey is OHPFOTGEPLLRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-2-3-10(8-13(9)17)14(18)16-12-6-4-11(15)5-7-12/h2-3,8,11-12,17H,4-7,15H2,1H3,(H,16,18).
What are the key properties of N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide?
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 43653129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).