2-(4-aminobenzoyl)oxyethyl-triethylazanium

C15H25N2O2+ — CID 24837881

IUPAC2-(4-aminobenzoyl)oxyethyl-triethylazanium
SMILESCC[N+](CC)(CC)CCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-4-17(5-2,6-3)11-12-19-15(18)13-7-9-14(16)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H-,16,18)/p+1
InChIKeyDJWCLIYJAARIIL-UHFFFAOYSA-O
MW265.38 g/mol
LogP2.30
Rot. Bonds7

About 2-(4-aminobenzoyl)oxyethyl-triethylazanium

2-(4-aminobenzoyl)oxyethyl-triethylazanium (PubChem CID 24837881) has the molecular formula C15H25N2O2+ and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(4-aminobenzoyl)oxyethyl-triethylazanium.

Molecular Properties

Compound Name2-(4-aminobenzoyl)oxyethyl-triethylazanium
PubChem CID24837881
Molecular FormulaC15H25N2O2+
Molecular Weight265.38 g/mol
Exact Mass265.19
IUPAC Name2-(4-aminobenzoyl)oxyethyl-triethylazanium
SMILESCC[N+](CC)(CC)CCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-4-17(5-2,6-3)11-12-19-15(18)13-7-9-14(16)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H-,16,18)/p+1
InChIKeyDJWCLIYJAARIIL-UHFFFAOYSA-O
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminobenzoyl)oxyethyl-(1,3-benzodioxol-5-ylmethyl)-diethylazanium
CID 172645891
ethyl 4-aminobenzoate
CID 2337
azane;butyl 4-aminobenzoate
CID 175088613
3-hydroxypentyl 4-aminobenzoate
CID 142742949
2-[2-(4-aminobenzoyl)oxyethylsulfanyl]ethyl 4-aminobenzoate
CID 131860391
tetradecyl 4-aminobenzoate
CID 66970570
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
2-(ethylamino)ethyl 4-aminobenzoate
CID 45089797
butane;ethyl 4-aminobenzoate
CID 67389405
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
butyl-ethyl-[2-[4-(methoxymethyl)benzoyl]oxyethyl]-propylazanium
CID 135134407

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobenzoyl)oxyethyl-triethylazanium?
The IUPAC name of 2-(4-aminobenzoyl)oxyethyl-triethylazanium (CID 24837881) is 2-(4-aminobenzoyl)oxyethyl-triethylazanium.
What is the SMILES notation for 2-(4-aminobenzoyl)oxyethyl-triethylazanium?
The canonical SMILES for 2-(4-aminobenzoyl)oxyethyl-triethylazanium is CC[N+](CC)(CC)CCOC(=O)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminobenzoyl)oxyethyl-triethylazanium?
The InChIKey is DJWCLIYJAARIIL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N2O2/c1-4-17(5-2,6-3)11-12-19-15(18)13-7-9-14(16)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H-,16,18)/p+1.
What are the key properties of 2-(4-aminobenzoyl)oxyethyl-triethylazanium?
2-(4-aminobenzoyl)oxyethyl-triethylazanium has a molecular weight of 265.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobenzoyl)oxyethyl-triethylazanium is sourced from PubChem (CID 24837881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).