2-[2-(butylamino)ethoxy]ethyl benzoate

C15H23NO3 — CID 82532254

IUPAC2-[2-(butylamino)ethoxy]ethyl benzoate
SMILESCCCCNCCOCCOC(=O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-3-9-16-10-11-18-12-13-19-15(17)14-7-5-4-6-8-14/h4-8,16H,2-3,9-13H2,1H3
InChIKeyXEEXBDSJXSVPMD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.25
Rot. Bonds10

About 2-[2-(butylamino)ethoxy]ethyl benzoate

2-[2-(butylamino)ethoxy]ethyl benzoate (PubChem CID 82532254) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-(butylamino)ethoxy]ethyl benzoate.

Molecular Properties

Compound Name2-[2-(butylamino)ethoxy]ethyl benzoate
PubChem CID82532254
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-(butylamino)ethoxy]ethyl benzoate
SMILESCCCCNCCOCCOC(=O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-3-9-16-10-11-18-12-13-19-15(17)14-7-5-4-6-8-14/h4-8,16H,2-3,9-13H2,1H3
InChIKeyXEEXBDSJXSVPMD-UHFFFAOYSA-N
XLogP2.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(propylamino)ethoxy]ethyl benzoate
CID 82532615
2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate
CID 82532252
2-nonoxyethyl benzoate
CID 140608587
(111C)butyl benzoate
CID 11994383
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
butyl benzoate;methane
CID 174523775
butyl benzoate;dihydrochloride
CID 141031125
2-(2-phenylethylamino)ethyl benzoate
CID 82532113
2-[2-(2-hexan-2-yloxyethoxy)ethoxy]ethyl benzoate
CID 175732668
hexyl benzoate
CID 23235
methanol;pentyl benzoate
CID 175222419
4-(2-phenylethylamino)butyl benzoate
CID 70832782

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butylamino)ethoxy]ethyl benzoate?
The IUPAC name of 2-[2-(butylamino)ethoxy]ethyl benzoate (CID 82532254) is 2-[2-(butylamino)ethoxy]ethyl benzoate.
What is the SMILES notation for 2-[2-(butylamino)ethoxy]ethyl benzoate?
The canonical SMILES for 2-[2-(butylamino)ethoxy]ethyl benzoate is CCCCNCCOCCOC(=O)c1ccccc1.
What is the InChIKey of 2-[2-(butylamino)ethoxy]ethyl benzoate?
The InChIKey is XEEXBDSJXSVPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-3-9-16-10-11-18-12-13-19-15(17)14-7-5-4-6-8-14/h4-8,16H,2-3,9-13H2,1H3.
What are the key properties of 2-[2-(butylamino)ethoxy]ethyl benzoate?
2-[2-(butylamino)ethoxy]ethyl benzoate has a molecular weight of 265.35 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butylamino)ethoxy]ethyl benzoate is sourced from PubChem (CID 82532254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).