N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride

C17H27ClN2O2 — CID 119591056

IUPACN-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride
SMILESCc1cccc(OCC(=O)NC(CN)C2CCCCC2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13-6-5-9-15(10-13)21-12-17(20)19-16(11-18)14-7-3-2-4-8-14;/h5-6,9-10,14,16H,2-4,7-8,11-12,18H2,1H3,(H,19,20);1H
InChIKeyNFEZFJSMOILVTP-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.82
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride (PubChem CID 119591056) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride
PubChem CID119591056
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride
SMILESCc1cccc(OCC(=O)NC(CN)C2CCCCC2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13-6-5-9-15(10-13)21-12-17(20)19-16(11-18)14-7-3-2-4-8-14;/h5-6,9-10,14,16H,2-4,7-8,11-12,18H2,1H3,(H,19,20);1H
InChIKeyNFEZFJSMOILVTP-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(3-methylphenoxy)acetamide
CID 119616033
N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119616000
N-(2-amino-1-cyclohexylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 119590687
N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
CID 110834120
N-(2-amino-1-cyclopropylethyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119616028
N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide
CID 75390435
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119620664
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
CID 119589977
N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide
CID 119614628

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride (CID 119591056) is N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride is Cc1cccc(OCC(=O)NC(CN)C2CCCCC2)c1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride?
The InChIKey is NFEZFJSMOILVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-13-6-5-9-15(10-13)21-12-17(20)19-16(11-18)14-7-3-2-4-8-14;/h5-6,9-10,14,16H,2-4,7-8,11-12,18H2,1H3,(H,19,20);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119591056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).