N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride

C18H29ClN2O — CID 119589025

IUPACN-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NC(CN)C2CCCCC2)cc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14-7-9-15(10-8-14)11-12-18(21)20-17(13-19)16-5-3-2-4-6-16;/h7-10,16-17H,2-6,11-13,19H2,1H3,(H,20,21);1H
InChIKeyMHNFFUPHXCFFAE-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.37
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride (PubChem CID 119589025) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
PubChem CID119589025
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NC(CN)C2CCCCC2)cc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14-7-9-15(10-8-14)11-12-18(21)20-17(13-19)16-5-3-2-4-6-16;/h7-10,16-17H,2-6,11-13,19H2,1H3,(H,20,21);1H
InChIKeyMHNFFUPHXCFFAE-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119591484
N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119612928
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
CID 119589977
N-(2-amino-1-cyclopropylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 119613531
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
CID 119590593
N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119591138
N-(2-amino-1-cyclohexylethyl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119590309
N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119591056
3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
CID 115341674

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride (CID 119589025) is N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride is Cc1ccc(CCC(=O)NC(CN)C2CCCCC2)cc1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride?
The InChIKey is MHNFFUPHXCFFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-14-7-9-15(10-8-14)11-12-18(21)20-17(13-19)16-5-3-2-4-6-16;/h7-10,16-17H,2-6,11-13,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.37, 6 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)-3-(4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119589025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).