2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid

C18H25NO3 — CID 56834927

IUPAC2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid
SMILESCCOc1ccc(/C=N/CC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-2-22-16-8-6-15(7-9-16)13-19-14-18(12-17(20)21)10-4-3-5-11-18/h6-9,13H,2-5,10-12,14H2,1H3,(H,20,21)/b19-13+
InChIKeyOGPMKOUTEIPXGY-CPNJWEJPSA-N
MW303.40 g/mol
LogP3.93
Rot. Bonds7

About 2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid

2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid (PubChem CID 56834927) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid
PubChem CID56834927
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid
SMILESCCOc1ccc(/C=N/CC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-2-22-16-8-6-15(7-9-16)13-19-14-18(12-17(20)21)10-4-3-5-11-18/h6-9,13H,2-5,10-12,14H2,1H3,(H,20,21)/b19-13+
InChIKeyOGPMKOUTEIPXGY-CPNJWEJPSA-N
XLogP3.93
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid (CID 56834927) is 2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid is CCOc1ccc(/C=N/CC2(CC(=O)O)CCCCC2)cc1.
What is the InChIKey of 2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid?
The InChIKey is OGPMKOUTEIPXGY-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H25NO3/c1-2-22-16-8-6-15(7-9-16)13-19-14-18(12-17(20)21)10-4-3-5-11-18/h6-9,13H,2-5,10-12,14H2,1H3,(H,20,21)/b19-13+.
What are the key properties of 2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid?
2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid has a molecular weight of 303.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-ethoxyphenyl)methylideneamino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 56834927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).