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

C19H27NO3 — CID 56834926

IUPAC2-[1-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid
SMILESCCOc1ccc(/C(C)=N/CC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C19H27NO3/c1-3-23-17-9-7-16(8-10-17)15(2)20-14-19(13-18(21)22)11-5-4-6-12-19/h7-10H,3-6,11-14H2,1-2H3,(H,21,22)/b20-15+
InChIKeyYCQRRRHLJZYNCA-HMMYKYKNSA-N
MW317.43 g/mol
LogP4.32
Rot. Bonds7

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

2-[1-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid (PubChem CID 56834926) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[1-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid
PubChem CID56834926
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name2-[1-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid
SMILESCCOc1ccc(/C(C)=N/CC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C19H27NO3/c1-3-23-17-9-7-16(8-10-17)15(2)20-14-19(13-18(21)22)11-5-4-6-12-19/h7-10H,3-6,11-14H2,1-2H3,(H,21,22)/b20-15+
InChIKeyYCQRRRHLJZYNCA-HMMYKYKNSA-N
XLogP4.32
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.32
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-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid (CID 56834926) is 2-[1-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid is CCOc1ccc(/C(C)=N/CC2(CC(=O)O)CCCCC2)cc1.
What is the InChIKey of 2-[1-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid?
The InChIKey is YCQRRRHLJZYNCA-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-23-17-9-7-16(8-10-17)15(2)20-14-19(13-18(21)22)11-5-4-6-12-19/h7-10H,3-6,11-14H2,1-2H3,(H,21,22)/b20-15+.
What are the key properties of 2-[1-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid?
2-[1-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid has a molecular weight of 317.43 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(4-ethoxyphenyl)ethylideneamino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 56834926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).