4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride

C15H23ClN2O — CID 166523994

IUPAC4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
SMILESCN(Cc1ccc(C(N)=O)cc1)C1CCCCC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-17(14-5-3-2-4-6-14)11-12-7-9-13(10-8-12)15(16)18;/h7-10,14H,2-6,11H2,1H3,(H2,16,18);1H
InChIKeyPHBHHEWAOSUVRD-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.97
Rot. Bonds4

About 4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride

4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride (PubChem CID 166523994) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
PubChem CID166523994
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
SMILESCN(Cc1ccc(C(N)=O)cc1)C1CCCCC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-17(14-5-3-2-4-6-14)11-12-7-9-13(10-8-12)15(16)18;/h7-10,14H,2-6,11H2,1H3,(H2,16,18);1H
InChIKeyPHBHHEWAOSUVRD-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854
4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide
CID 63571457
4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
CID 43614126
8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide
CID 69260218
8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide
CID 69259456
4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
CID 63301451
4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide
CID 38371562
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
CID 174466109
CID 174466109
4-(cyclobutylmethyl)benzamide
CID 174975666
4-[[azepan-4-yl(methyl)amino]methyl]benzoic acid
CID 107173321

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride?
The IUPAC name of 4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride (CID 166523994) is 4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride?
The canonical SMILES for 4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride is CN(Cc1ccc(C(N)=O)cc1)C1CCCCC1.Cl.
What is the InChIKey of 4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride?
The InChIKey is PHBHHEWAOSUVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-17(14-5-3-2-4-6-14)11-12-7-9-13(10-8-12)15(16)18;/h7-10,14H,2-6,11H2,1H3,(H2,16,18);1H.
What are the key properties of 4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride?
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride is sourced from PubChem (CID 166523994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).