N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride

C15H23ClN2O2 — CID 119474495

IUPACN-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCC(N)CC2)ccc1C.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-10-3-4-11(9-14(10)19-2)15(18)17-13-7-5-12(16)6-8-13;/h3-4,9,12-13H,5-8,16H2,1-2H3,(H,17,18);1H
InChIKeyQLUPWDIZYUTLMM-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.43
Rot. Bonds3

About N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride

N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride (PubChem CID 119474495) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
PubChem CID119474495
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCC(N)CC2)ccc1C.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-10-3-4-11(9-14(10)19-2)15(18)17-13-7-5-12(16)6-8-13;/h3-4,9,12-13H,5-8,16H2,1-2H3,(H,17,18);1H
InChIKeyQLUPWDIZYUTLMM-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43652834
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CID 119474386
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 8532471
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
CID 119478225
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride
CID 119476972
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride (CID 119474495) is N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride is COc1cc(C(=O)NC2CCC(N)CC2)ccc1C.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride?
The InChIKey is QLUPWDIZYUTLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-10-3-4-11(9-14(10)19-2)15(18)17-13-7-5-12(16)6-8-13;/h3-4,9,12-13H,5-8,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride?
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119474495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).