N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride

C16H25ClN2O — CID 119588952

IUPACN-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-7-5-6-10-14(12)16(19)18-15(11-17)13-8-3-2-4-9-13;/h5-7,10,13,15H,2-4,8-9,11,17H2,1H3,(H,18,19);1H
InChIKeyUSMZJKFWIDBWGY-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.05
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride (PubChem CID 119588952) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
PubChem CID119588952
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-7-5-6-10-14(12)16(19)18-15(11-17)13-8-3-2-4-9-13;/h5-7,10,13,15H,2-4,8-9,11,17H2,1H3,(H,18,19);1H
InChIKeyUSMZJKFWIDBWGY-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119592070
N-(2-amino-1-cyclohexylethyl)-2-methylpyridine-3-carboxamide
CID 81485625
N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 119614272
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696
N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride
CID 119589063
N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide
CID 119591550
N-(2-amino-1-cyclohexylethyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide;hydrochloride
CID 119589366
N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119591832
N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide
CID 106737225
N-(2-amino-1-cyclohexylethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119590942

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride (CID 119588952) is N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride is Cc1ccccc1C(=O)NC(CN)C1CCCCC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride?
The InChIKey is USMZJKFWIDBWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12-7-5-6-10-14(12)16(19)18-15(11-17)13-8-3-2-4-9-13;/h5-7,10,13,15H,2-4,8-9,11,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119588952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).