3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid

C16H23NO4 — CID 63042624

IUPAC3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(OCCNC2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H23NO4/c1-20-14-5-7-15(8-6-14)21-10-9-17-13-4-2-3-12(11-13)16(18)19/h5-8,12-13,17H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyOPXZPCGBRSWDQT-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.31
Rot. Bonds7

About 3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid

3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 63042624) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID63042624
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(OCCNC2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H23NO4/c1-20-14-5-7-15(8-6-14)21-10-9-17-13-4-2-3-12(11-13)16(18)19/h5-8,12-13,17H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyOPXZPCGBRSWDQT-UHFFFAOYSA-N
XLogP2.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60810220
3-[2-(4-cyanophenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63042104
4-[2-[(3-methylcyclohexyl)amino]ethoxy]benzoic acid
CID 103237686
3-[2-(2,5-dimethylphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63043519
3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043293
3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066346
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide
CID 112994880
N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83021772
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043634
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817
3-(2-aminoethylamino)cyclohexane-1-carboxylic acid
CID 63652681

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid (CID 63042624) is 3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid is COc1ccc(OCCNC2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is OPXZPCGBRSWDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-14-5-7-15(8-6-14)21-10-9-17-13-4-2-3-12(11-13)16(18)19/h5-8,12-13,17H,2-4,9-11H2,1H3,(H,18,19).
What are the key properties of 3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid?
3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).