[2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate

C14H19NO4 — CID 175115899

IUPAC[2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate
SMILESCCCNC(OC(=O)c1ccccc1)C(=O)OCC
InChIInChI=1S/C14H19NO4/c1-3-10-15-12(14(17)18-4-2)19-13(16)11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3
InChIKeyFSBYFLHIRACEOD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.73
Rot. Bonds7

About [2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate

[2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate (PubChem CID 175115899) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate.

Molecular Properties

Compound Name[2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate
PubChem CID175115899
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate
SMILESCCCNC(OC(=O)c1ccccc1)C(=O)OCC
InChIInChI=1S/C14H19NO4/c1-3-10-15-12(14(17)18-4-2)19-13(16)11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3
InChIKeyFSBYFLHIRACEOD-UHFFFAOYSA-N
XLogP1.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-butoxy-2-oxo-1-(propylamino)ethyl] benzoate
CID 174941985
1-aminopropyl benzoate;copper
CID 70588917
[(1R,2S)-2-benzoyloxy-1,2-diethoxyethyl] benzoate
CID 92529627
CID 158970570
CID 158970570
(3-ethoxycarbonyl-4,4-dimethylpentan-2-yl) benzoate
CID 69304839
benzamide;N-propylhydroxylamine
CID 175949040
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
ethyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]propanoate
CID 2069021
(4-ethoxycarbonyl-5,5-dimethylhexan-3-yl) benzoate
CID 69305022
ethyl benzoate;toluene
CID 23150750
chloroethane;ethyl benzoate
CID 91175503
1-hydroxybutyl benzoate
CID 23042733

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate?
The IUPAC name of [2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate (CID 175115899) is [2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate.
What is the SMILES notation for [2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate?
The canonical SMILES for [2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate is CCCNC(OC(=O)c1ccccc1)C(=O)OCC.
What is the InChIKey of [2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate?
The InChIKey is FSBYFLHIRACEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-10-15-12(14(17)18-4-2)19-13(16)11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3.
What are the key properties of [2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate?
[2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate has a molecular weight of 265.31 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate is sourced from PubChem (CID 175115899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).