N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride

C17H27ClN2O3 — CID 119474575

IUPACN-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
SMILESCCCOc1ccc(OCC(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-2-11-21-15-7-9-16(10-8-15)22-12-17(20)19-14-5-3-13(18)4-6-14;/h7-10,13-14H,2-6,11-12,18H2,1H3,(H,19,20);1H
InChIKeyWHPLVHOGRXINGJ-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.66
Rot. Bonds7

About N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride

N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride (PubChem CID 119474575) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
PubChem CID119474575
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC NameN-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
SMILESCCCOc1ccc(OCC(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-2-11-21-15-7-9-16(10-8-15)22-12-17(20)19-14-5-3-13(18)4-6-14;/h7-10,13-14H,2-6,11-12,18H2,1H3,(H,19,20);1H
InChIKeyWHPLVHOGRXINGJ-UHFFFAOYSA-N
XLogP2.66
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-2-(4-propoxyphenoxy)acetamide
CID 78767377
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103
N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119477453
N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119476502
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047
4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
CID 119476133
N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide
CID 119609351
N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
CID 119475958
N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide
CID 55501742
N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide
CID 99808583
N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119475585

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride (CID 119474575) is N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride is CCCOc1ccc(OCC(=O)NC2CCC(N)CC2)cc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride?
The InChIKey is WHPLVHOGRXINGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-2-11-21-15-7-9-16(10-8-15)22-12-17(20)19-14-5-3-13(18)4-6-14;/h7-10,13-14H,2-6,11-12,18H2,1H3,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119474575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).