2-(2-methoxyethoxy)ethyl 4-anilinobutanoate

C15H23NO4 — CID 104563449

IUPAC2-(2-methoxyethoxy)ethyl 4-anilinobutanoate
SMILESCOCCOCCOC(=O)CCCNc1ccccc1
InChIInChI=1S/C15H23NO4/c1-18-10-11-19-12-13-20-15(17)8-5-9-16-14-6-3-2-4-7-14/h2-4,6-7,16H,5,8-13H2,1H3
InChIKeyYIOVPMJDJNASGK-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.08
Rot. Bonds11

About 2-(2-methoxyethoxy)ethyl 4-anilinobutanoate

2-(2-methoxyethoxy)ethyl 4-anilinobutanoate (PubChem CID 104563449) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 4-anilinobutanoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 4-anilinobutanoate
PubChem CID104563449
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(2-methoxyethoxy)ethyl 4-anilinobutanoate
SMILESCOCCOCCOC(=O)CCCNc1ccccc1
InChIInChI=1S/C15H23NO4/c1-18-10-11-19-12-13-20-15(17)8-5-9-16-14-6-3-2-4-7-14/h2-4,6-7,16H,5,8-13H2,1H3
InChIKeyYIOVPMJDJNASGK-UHFFFAOYSA-N
XLogP2.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-anilinoethoxy)ethyl butanoate
CID 102065089
6-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] hexanedioate;bis[2-(2-methoxyethoxy)ethyl] hexanedioate;dibenzyl hexanedioate
CID 158933563
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
2-(2-anilinoethoxy)ethyl acetate
CID 102065081
4-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] butanedioate
CID 71416841
N-(4-methoxybutyl)aniline
CID 13042774
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981
octyl 3-anilinopropanoate
CID 63541566
3,3-dimethylbutyl 3-anilinopropanoate
CID 66225531
2-methylbut-3-en-2-yl 4-anilinobutanoate
CID 67953027
2-phenylethyl 4-methoxybutanoate
CID 78885647
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
CID 71553925

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 4-anilinobutanoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 4-anilinobutanoate (CID 104563449) is 2-(2-methoxyethoxy)ethyl 4-anilinobutanoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 4-anilinobutanoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 4-anilinobutanoate is COCCOCCOC(=O)CCCNc1ccccc1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 4-anilinobutanoate?
The InChIKey is YIOVPMJDJNASGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-10-11-19-12-13-20-15(17)8-5-9-16-14-6-3-2-4-7-14/h2-4,6-7,16H,5,8-13H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 4-anilinobutanoate?
2-(2-methoxyethoxy)ethyl 4-anilinobutanoate has a molecular weight of 281.35 g/mol, XLogP of 2.08, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 4-anilinobutanoate is sourced from PubChem (CID 104563449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).