3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride

C17H27ClN2O3 — CID 119723309

IUPAC3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOCCOc1cccc(CNC(=O)C2CCCC(N)C2)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-8-9-22-16-7-2-4-13(10-16)12-19-17(20)14-5-3-6-15(18)11-14;/h2,4,7,10,14-15H,3,5-6,8-9,11-12,18H2,1H3,(H,19,20);1H
InChIKeyZFLBPHLXYXUVJJ-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.27
Rot. Bonds7

About 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119723309) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119723309
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOCCOc1cccc(CNC(=O)C2CCCC(N)C2)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-8-9-22-16-7-2-4-13(10-16)12-19-17(20)14-5-3-6-15(18)11-14;/h2,4,7,10,14-15H,3,5-6,8-9,11-12,18H2,1H3,(H,19,20);1H
InChIKeyZFLBPHLXYXUVJJ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;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-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119732512
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119751138
3-amino-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119712572
(2S,4S)-N-[[3-(3-methoxypropoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120639826
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 74246620
3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119769398
3-[[(3-aminocyclohexanecarbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722813
3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414
3-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712143
3-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119867333

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119723309) is 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride is COCCOc1cccc(CNC(=O)C2CCCC(N)C2)c1.Cl.
What is the InChIKey of 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ZFLBPHLXYXUVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-21-8-9-22-16-7-2-4-13(10-16)12-19-17(20)14-5-3-6-15(18)11-14;/h2,4,7,10,14-15H,3,5-6,8-9,11-12,18H2,1H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119723309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).