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

C16H23NO4 — CID 60810220

IUPAC4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(OCCNC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H23NO4/c1-20-14-6-8-15(9-7-14)21-11-10-17-13-4-2-12(3-5-13)16(18)19/h6-9,12-13,17H,2-5,10-11H2,1H3,(H,18,19)
InChIKeyQSMDSKFQJDOSCY-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.31
Rot. Bonds7

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

4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 60810220) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID60810220
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(OCCNC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H23NO4/c1-20-14-6-8-15(9-7-14)21-11-10-17-13-4-2-12(3-5-13)16(18)19/h6-9,12-13,17H,2-5,10-11H2,1H3,(H,18,19)
InChIKeyQSMDSKFQJDOSCY-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

3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63042624
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
4-[2-(3-bromophenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60809216
4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid
CID 122032281
4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006870
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
3-[2-(4-cyanophenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63042104
1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083922
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid (CID 60810220) is 4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid is COc1ccc(OCCNC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is QSMDSKFQJDOSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-14-6-8-15(9-7-14)21-11-10-17-13-4-2-12(3-5-13)16(18)19/h6-9,12-13,17H,2-5,10-11H2,1H3,(H,18,19).
What are the key properties of 4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid?
4-[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 4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).