ethyl 6-(4-formylanilino)hexanoate

C15H21NO3 — CID 22448233

IUPACethyl 6-(4-formylanilino)hexanoate
SMILESCCOC(=O)CCCCCNc1ccc(C=O)cc1
InChIInChI=1S/C15H21NO3/c1-2-19-15(18)6-4-3-5-11-16-14-9-7-13(12-17)8-10-14/h7-10,12,16H,2-6,11H2,1H3
InChIKeyJLZXLBRORONEDT-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.03
Rot. Bonds9

About ethyl 6-(4-formylanilino)hexanoate

ethyl 6-(4-formylanilino)hexanoate (PubChem CID 22448233) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 6-(4-formylanilino)hexanoate.

Molecular Properties

Compound Nameethyl 6-(4-formylanilino)hexanoate
PubChem CID22448233
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 6-(4-formylanilino)hexanoate
SMILESCCOC(=O)CCCCCNc1ccc(C=O)cc1
InChIInChI=1S/C15H21NO3/c1-2-19-15(18)6-4-3-5-11-16-14-9-7-13(12-17)8-10-14/h7-10,12,16H,2-6,11H2,1H3
InChIKeyJLZXLBRORONEDT-UHFFFAOYSA-N
XLogP3.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-formylanilino)hexanoate?
The IUPAC name of ethyl 6-(4-formylanilino)hexanoate (CID 22448233) is ethyl 6-(4-formylanilino)hexanoate.
What is the SMILES notation for ethyl 6-(4-formylanilino)hexanoate?
The canonical SMILES for ethyl 6-(4-formylanilino)hexanoate is CCOC(=O)CCCCCNc1ccc(C=O)cc1.
What is the InChIKey of ethyl 6-(4-formylanilino)hexanoate?
The InChIKey is JLZXLBRORONEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-15(18)6-4-3-5-11-16-14-9-7-13(12-17)8-10-14/h7-10,12,16H,2-6,11H2,1H3.
What are the key properties of ethyl 6-(4-formylanilino)hexanoate?
ethyl 6-(4-formylanilino)hexanoate has a molecular weight of 263.34 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-formylanilino)hexanoate is sourced from PubChem (CID 22448233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).