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

C14H20N2O2 — CID 79121540

IUPACN-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)cc1)C1CCC(N)CC1
InChIInChI=1S/C14H20N2O2/c1-16(12-6-4-11(15)5-7-12)14(18)10-2-8-13(17)9-3-10/h2-3,8-9,11-12,17H,4-7,15H2,1H3
InChIKeyCMOFNZUQBBRXHY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.73
Rot. Bonds2

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

N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide (PubChem CID 79121540) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
PubChem CID79121540
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)cc1)C1CCC(N)CC1
InChIInChI=1S/C14H20N2O2/c1-16(12-6-4-11(15)5-7-12)14(18)10-2-8-13(17)9-3-10/h2-3,8-9,11-12,17H,4-7,15H2,1H3
InChIKeyCMOFNZUQBBRXHY-UHFFFAOYSA-N
XLogP1.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide
CID 79121715
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-(4-aminocyclohexyl)-4-hydroxy-N,3-dimethylbenzamide
CID 107672162
N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 79121804
N-(4-aminocyclohexyl)-N,3-dimethylbenzamide
CID 79121288
N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide
CID 107990590
N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 79114417
N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
CID 79121217
N-cyclopropyl-4-hydroxy-N,2-dimethylbenzamide
CID 103863729
N-(4-aminocyclohexyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81446362

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide (CID 79121540) is N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide is CN(C(=O)c1ccc(O)cc1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide?
The InChIKey is CMOFNZUQBBRXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(12-6-4-11(15)5-7-12)14(18)10-2-8-13(17)9-3-10/h2-3,8-9,11-12,17H,4-7,15H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide?
N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide is sourced from PubChem (CID 79121540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).