N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride

C17H27ClN2O2 — CID 119478904

IUPACN-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)NC2CCC(N)CC2)c1C.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12-4-3-5-16(13(12)2)21-11-10-17(20)19-15-8-6-14(18)7-9-15;/h3-5,14-15H,6-11,18H2,1-2H3,(H,19,20);1H
InChIKeyFMCQUHWYHNGMLB-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.88
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride

N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride (PubChem CID 119478904) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
PubChem CID119478904
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)NC2CCC(N)CC2)c1C.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12-4-3-5-16(13(12)2)21-11-10-17(20)19-15-8-6-14(18)7-9-15;/h3-5,14-15H,6-11,18H2,1-2H3,(H,19,20);1H
InChIKeyFMCQUHWYHNGMLB-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 43417399
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454143
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide
CID 86985236
N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride
CID 119477516
2-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43389110
N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47024315
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7981850
2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid
CID 80740402
3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride (CID 119478904) is N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride is Cc1cccc(OCCC(=O)NC2CCC(N)CC2)c1C.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride?
The InChIKey is FMCQUHWYHNGMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-12-4-3-5-16(13(12)2)21-11-10-17(20)19-15-8-6-14(18)7-9-15;/h3-5,14-15H,6-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.88, 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-(2,3-dimethylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119478904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).