N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride

C16H25ClN2O3 — CID 119478209

IUPACN-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
SMILESCOc1ccc(OC(C)C(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13;/h7-13H,3-6,17H2,1-2H3,(H,18,19);1H
InChIKeyPSJYRNYCWZMBGQ-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.27
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride

N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride (PubChem CID 119478209) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
PubChem CID119478209
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
SMILESCOc1ccc(OC(C)C(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13;/h7-13H,3-6,17H2,1-2H3,(H,18,19);1H
InChIKeyPSJYRNYCWZMBGQ-UHFFFAOYSA-N
XLogP2.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 7865701
N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride
CID 119475538
2-(4-methoxyphenoxy)-N-(4-methylcyclohexyl)propanamide
CID 51326792
N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride
CID 119477645
2-(4-methoxyphenoxy)-N-(3-methylcyclopentyl)propanamide
CID 114549547
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CID 119474521
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide
CID 7931426
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CID 119477343
(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 40855971
N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide
CID 78760023
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride (CID 119478209) is N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride is COc1ccc(OC(C)C(=O)NC2CCC(N)CC2)cc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride?
The InChIKey is PSJYRNYCWZMBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13;/h7-13H,3-6,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.27, 5 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-methoxyphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119478209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).