N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride

C17H27ClN2O2 — CID 119477343

IUPACN-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1ccc(C(C)CC(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(13-3-9-16(21-2)10-4-13)11-17(20)19-15-7-5-14(18)6-8-15;/h3-4,9-10,12,14-15H,5-8,11,18H2,1-2H3,(H,19,20);1H
InChIKeyXGLNYHOTWRQGLO-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.00
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride

N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride (PubChem CID 119477343) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
PubChem CID119477343
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1ccc(C(C)CC(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(13-3-9-16(21-2)10-4-13)11-17(20)19-15-7-5-14(18)6-8-15;/h3-4,9-10,12,14-15H,5-8,11,18H2,1-2H3,(H,19,20);1H
InChIKeyXGLNYHOTWRQGLO-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide
CID 119475429
4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide
CID 112511397
N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119478209
N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride
CID 119475413
N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119476012
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
N-(4-aminocyclohexyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119476462
N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119474521
N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119474759
N-(4-aminocyclohexyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119477705
3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide
CID 112508678
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride (CID 119477343) is N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride is COc1ccc(C(C)CC(=O)NC2CCC(N)CC2)cc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride?
The InChIKey is XGLNYHOTWRQGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-12(13-3-9-16(21-2)10-4-13)11-17(20)19-15-7-5-14(18)6-8-15;/h3-4,9-10,12,14-15H,5-8,11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119477343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).